九州大学 研究者情報
研究者情報 (研究者の方へ)入力に際してお困りですか?
基本情報 研究活動 教育活動 社会活動
吉澤 一成(よしざわ かずなり) データ更新日:2019.07.10



主な研究テーマ
窒素固定に関する理論的研究
キーワード:量子化学、窒素固定、金属錯体、ニトロゲナーゼ
2005.04~2018.06.
メタン活性化に関する理論的研究
キーワード:量子化学、C-H活性化、メタンモノオキシゲナーゼ、ゼオライト
1996.04~2018.06.
接着に関する理論的研究
キーワード:量子化学、接着、界面現象、DFTB、MD
2011.04~2018.06.
分子デバイスに関する理論的研究
キーワード:量子化学、分子デバイス、ランダウアモデル、分子軌道法、コンダクタンス
2002.04.
分子性超伝導に関する理論的研究
キーワード:量子化学、超伝導、ヤーン・テラー効果、振電相互作用
1995.04.
生体化学反応に関する理論的研究
キーワード:量子化学、チトクロム P450、メタンモノオキシゲナーゼ、金属酵素、生物無機化学
1993.04.
従事しているプロジェクト研究
未来社会創造事業
2018.11~2020.03, 代表者:田中 敬二, 九州大学
第一原理計算による接着界面相互作用の研究.
戦略的創造研究推進事業(CREST)
2015.10~2020.03, 代表者:西林仁昭, 東京大学
理論化学によるアンモニア合成に関する研究.
戦略的創造研究推進事業(CREST)
2015.12~2020.03, 代表者:吉澤一成, 九州大学
計算化学が先導するメタン酸化触媒の開発と触媒設計技術の創成.
金属錯体構造体に関する研究
2007.04, 代表者:君塚信夫, 九州大学
金属錯体による新規材料の構築を行う。.
還元的酸素分子の活性化に基づく新しい環境調和型物質転換
2006.10, 代表者:石原 達己, 九州大学
還元的酸素分子の活性化により、分子認識、基質濃縮、反応加速、エネルギーアンテナなどの従来の分子触媒系では達成できない画期的な特性を有する触媒システムの構築を行う。.
ナノ制御空間を有する均一系分子触媒の創製
2002.11~2007.09, 代表者:辻 康之, 京都大学, 科学技術振興機構
この超分子相互作用能を有するナノ制御空間を遷移金属分子触媒系に導入することにより、分子認識、基質濃縮、反応加速、エネルギーアンテナなどの従来の分子触媒系では達成できない画期的な特性を有する触媒システムの構築を行う。.
研究業績
主要著書
1. 吉澤一成, 「有機量子化学」, 朝倉書店, 2001.01.
2. Kazunari Yoshizawa, Magnetic Properties of Organic Materials, Marcel Dekker, P. M. Lahti 編、分担執筆, 1999.01.
3. 吉澤一成, 「分子磁性」, 学会出版センター, 伊藤公一編、分担執筆, 1997.01.
主要原著論文
1. H. Tian, H. Shimakoshi, K. Imamura, Y. Shiota, K. Yoshizawa, Y. Hisaeda, Photocatalytic alkene reduction by a B12–TiO2 hybrid catalyst coupled with C–F bond cleavage for gem-difluoroolefin synthesis, Chem. Commun., 2017.07.
2. Y. Hori, Y. Shiota, T. Tsuji, M. Kodera, K. Yoshizawa, Catalytic Performance of a Dicopper-oxo Complex for Methane Hydroxylation, Inorg. Chem., 10.1021/acs.inorgchem.7b02563, 2017.12, A dicopper(II) complex, [Cu2(μ-OH)(6-hpa)]3+, where 6-hpa is 1,2-bis[2-[bis(2-pyridylmethyl)aminomethyl]-6-pyridyl]ethane, generates an oxyl radical of CuIIO• and catalyzes the selective hydroxylation of benzene to phenol. From the structural similarity to methane activation catalysts (e.g., bare CuO+ ion, Cu-ZSM-5, and particulate methane monooxygenase), it is expected to catalyze methane hydroxylation. The catalytic performance for the hydroxylation of methane to methanol by this dicopper complex is investigated by using density functional theory (DFT) calculations. The whole reaction of the methane conversion involves two steps without radical species: (1) C–H bond dissociation of methane by the CuIIO• moiety and (2) C–O bond formation with methyl migration. In the first step, the activation barrier is calculated to be 10.2 kcal/mol, which is low enough for reactions taking place under normal conditions. The activation barrier by the other CuIIO2• moiety is higher than that by the CuIIO• moiety, which should work to turn the next catalytic cycle. DFT calculations show that the dicopper complex has a precondition to hydroxylate methane to methanol. Experimental verification is required to look in detail at the reactivity of this dicopper complex..
3. Y. Saegusa, T. Ishizuka, Y. Shiota, K. Yoshizawa, T. Kojima, NH Tautomerism of a Quadruply-Fused Porphyrin–Rigid Fused Structure Delays the Proton Transfer, J. Phys. Chem. B, 10.1021/acs.jpcb.7b10945, 2018.01.
4. M. H. Mahyuddin, T. Tanaka, Y. Shiota, A. Staykov, K. Yoshizawa, Methane Partial Oxidation over [Cu2(μ-O)]2+ and [Cu3(μ-O)3]2+ Active Species in Large-Pore Zeolites, ACS Catal, 10.1021/acscatal.7b03389, 2018.01.
5. W. Suzuki, H. Kotani, T. Ishizuka, Y. Shiota, K.Yoshizawa, T. Kojima, Formation and Isolation of a Four-Electron Reduced Porphyrin Derivative via Further Reduction of a Stable 20π Isophlorin, Angew. Chem. Int. Ed., 10.1002/anie.201711058, 2018.01.
6. K. Takahashi, M. Okai, T. Mochida, T. Sakurai, H. Ohta, T. Yamamoto, Y. Einaga, Y. Shiota, K. Yoshizawa, H. Konaka, S. Sasaki, Contribution of Coulomb Interactions to Two-step Crystal Structural Phase Transformation Coupled to the Significant Change in Spin Crossover Behavior for a Series of Charged FeII Complexes from 2,6-bis(2-methylthiazol-4-yl)pyridine, Inorg. Chem., 10.1021/acs.inorgchem.7b02721, 2018.01.
7. T. Koide, I. Aritome, T. Saeki, Y. Morita, Y. Shiota, K. Yoshizawa, H. Shimakoshi, Y. Hisaeda, Cobalt–Carbon Bond Formation Reaction via Ligand Reduction of Porphycene Cobalt(II) Complex and Its Non-Innocent Reactivity, ACS Omega, 10.1021/acsomega.8b00239, 3, 4027-4034 , 2018.01.
8. Y. Sunada, H. Ogushi, T. Yamamoto, S. Uto, M. Sawano, A. Tahara, H. Tanaka, Y. Shiota, K. Yoshizawa, H. Nagashima, Disilaruthena- and Ferra-Cyclic Complexes Containing Isocyanide Ligands as Effective Catalysts for Hydrogenation of Unfunctionalized Sterically Hindered Alkenes, J. Am. Chem. Soc., 10.1021/jacs.8b00812, 140, 4119-4134 , 2018.01.
9. T. Yamamoto, H. Mitsuno, S. Mori, S. Itoyama, Y. Shiota, K. Yoshizawa, S. Ishida, H. Furuta, Two Discrete RuCp*-Binding Modes of N-Confused Porphyrins: Peripheral π-Complex and Sitting Atop Ruthenocenophane Complex via Skeletal Transformation, Chem. Eur. J., 10.1002/chem.201801237, 24, 6742-6746, 2018.01.
10. D. Hong, Y. Tsukakoshi, H. Kotani, T. Ishizuka, K. Ohkubo, Y. Shiota, K. Yoshizawa, S. Fukuzumi, and T. Kojima, Mechanistic Insights into Homogeneous Electrocatalytic and Photocatalytic Hydrogen Evolution Catalyzed by High-Spin Ni(II) Complexes with S2N2-Type Tetradentate Ligands
, Inorg. Chem., 10.1021/acs.inorgchem.8b00881, 57, 7180-7190 , 2018.01.
11. T. Kojima, F. Ogishima, T. Nishibu, H. Kotani, T. Ishizuka, T. Okajima, S. Nozawa, Y. Shiota, K. Yoshizawa, H. Ohtsu, M. Kawano, T. Shiga, H. Oshio, Intermediate-Spin Iron(III) Complexes Having a Redox-Noninnocent Macrocyclic Tetraamido Ligand
, Inorg. Chem., 0.1021/acs.inorgchem.8b00037, 57, 9683-9695
, 2018.01.
12. Y. Sekiguchi, K. Arashiba, H. Tanaka, A. Eizawa, K. Nakajima, K. Yoshizawa, and Y. Nishibayashi, Catalytic Reduction of Molecular Dinitrogen into Ammonia and Hydrazine Using Vanadium Complexes
, Angew. Chem. Int. Ed., 10.1002/ange.201802310, 57, 9064-9068
, 2018.01.
13. J. Catal., Aerobic Oxidation of Alkanes on Icosahedron Gold Nanoparticles
A. Staykov, T. Miwa, and K. Yoshizawa,
, 10.1016/j.jcat.2018.05.017, 364, 141-153, 2018.01.
14. Y. K. Maurya, K. Noda, K. Yamasumi, S. Mori, T. Uchiyama, K. Kamitani, T. Hirai, M. Nishibori, Y. Hori, Y. Shiota, K. Yoshizawa, M. Ishida, and H. Furuta, Ground-State Copper(III) Stabilized by N-Confused/N-Linked Corroles: Synthesis, Characterization, and Redox Reactivity, J. Am. Chem. Soc., 10.1021/jacs.8b01876, 140 (22), 6883-6892, 2018.01.
15. Y. Tsuji and K. Yoshizawa, Adsorption and Activation of Methane on the (110) Surface of Rutile-Type Metal Dioxides
, J. Phys. Chem. C, 10.1021/acs.jpcc.8b03184, 122 (27), 15359-15381
, 2018.01.
16. M. H. Mahyuddin, Y. Shiota, A. Staykov, and K. Yoshizawa, Theoretical Overview of Methane Hydroxylation by Copper-Oxygen Species in Enzymatic and Zeolitic Catalysts
, Acc. Chem. Res., 10.1021/acs.accounts.8b00236, 51, 2382-2390
, 2018.01.
17. A. Staykov, S. Fukumori, K. Yoshizawa, K. Sato, T. Ishihara, and J. Kilner, Interaction of SrO-terminated SrTiO3 Surface with Oxygen, Carbon Dioxide, and Water
, J. Mater. Chem. A, 10.1039/C8TA05177A, 6, 22662-22672
, 2018.01.
18. M. H. Mahyuddin, T. Tanaka, A. Staykov, Y. Shiota, and K. Yoshizawa, Dioxygen Activation on Cu-MOR Zeolite: Theoretical Insights into the Formation of Cu2O and Cu3O3 Active Species
, Inorg. Chem., 10.1021/acs.inorgchem.8b01329, 57, 10146-10152
, 2018.01.
19. Y. Sekiguchi, F. Meng, H. Tanaka, A. Eizawa, K. Arashiba, K. Nakajima, K. Yoshizawa, and Y. Nishibayashi, Synthesis and reactivity of titanium– and zirconium–dinitrogen complexes bearing anionic pyrrole-based PNP-type pincer ligands
, Dalton Trans., 10.1039/C8DT02739K, 47, 11322-11326
, 2018.01.
20. Y. Tsuji and K. Yoshizawa, Effects of Electron-Phonon Coupling on Quantum Interference in Polyenes, J. Chem. Phys., 10.1063/1.5048955, 149, 134115/1-15, 2018.01.
21. M. H. Mahyuddin and K. Yoshizawa, DFT Exploration of Active Site Motifs in Methane Hydroxylation by Ni-ZSM-5 Zeolite
, Catal. Sci. Tech., 10.1039/C8CY01441H, 8, 5875-5885
, 2018.01.
22. H. Kotani, S. Kaida, T. Ishizuka, K. Mieda, M. Sakaguchi, T. Ogura, Y. Shiota, K. Yoshizawa, T. Kojima, Importance of the Reactant-State Potentials of Chromium(V)-Oxo Complexes to Determine the Reactivity in Hydrogen-Atom Transfer Reactions
, Inorg. Chem., 10.1021/acs.inorgchem.8b02453, 57 (21), 13929-13936
, 2018.01.
23. K. Yoshizawa, H. Murata, and H. Tanaka, Density-Functional Tight-Binding Study on the Effects of Interfacial Water in the Adhesion Force between Epoxy Resin and Alumina Surface
, Langmuir, 10.1021/acs.langmuir.8b02490, 34 (47), 14428-14438
, 2018.01.
24. C. Higuchi, H. Tanaka, and K. Yoshizawa, Molecular Understanding of the Adhesive Interactions between Silica Surface and Epoxy Resin: Effects of Interfacial Water
, J. Comput. Chem. , DOI:10.1002/jcc.25559, 40, 164-171
, 2019.01.
25. T. Toyao, Md. N. Rashed, Y. Morita, T. Kamachi, S. M. A. H. Siddiki, Md. A. Ali, A. S. Touchy, K. Kon, K. Yoshizawa, K. Shimizu, Esterification of Tertiary Amides by Alcohols Through C–N Bond Cleavage over CeO2
, ChemCatChem, 10.1002/cctc.201801098, 11, 449 , 2019.01.
26. K. Hashimoto, T. Koide, H. Shimakoshi, Y. Hori, Y. Shiota, K. Yoshizawa, and Y. Hisaeda, Redox Behaviour of β-Dihydroporphycene Cobalt Complex: Study on the Effect of Hydrogenation of the Ligand
, Dalton Trans., 10.1039/C8DT03743D, 48, 872-881, 2019.01.
27. T. Abe, Y. Hori, Y. Shiota, T. Ohta, Y. Morimoto, H. Sugimoto, T. Ogura, K. Yoshizawa, and S. Itoh, Cupric-superoxide Complex that induces a catalytic Aldol Reaction-Type C–C Bond Formation
, Commun. Chem., 10.1038/s42004-019-0115-6 , in press
, 2019.01.
28. H. Tanaka, S. Hitaoka, K. Umehara, S. Kuwata, T. Ikariya, and K. Yoshizawa, Spin-State Flexibility of a Protic Pincer-Type Iron Complex in Catalytic Disproportionation of Hydrazine via Proton-Coupled Electron Transfer, Inorg. Chem., submitted, 2017.01.
29. T. Sawaki, T. Ishizuka, Y. Shiota, H. Kotani, K. Yoshizawa, T. Kojima, Trapping MLCT Excited State of a Ruthenium(II) Complex with Proton-Coupled Electron Transfer toward Photocatalytic Hydrogen Evolution and Hydrogenation of Aldehydes
, Eur. J. Inorg. Chem., submitted, 2017.01.
30. T. Kojima, H. Kotani, D. Hong, K. Satonaka, T. Ishizuka, S. Itoyama, Y. Shiota, K. Yoshizawa, Mechanistic Insight into Dioxygen Evolution from Diastereomeric μ-Peroxo Dinuclear Co(III) Complexes Based on Stoichiometric Electron-Transfer Oxidation
, Inorg. Chem., 10.1021/jacs.6b03785, submitted, 2017.01.
31. K. Ikeda, Y. Hori, Y. Shiota, M. H. Mahyuddin, A. Staykov, T. Matsumoto, K. Yoshizawa, and S. Ogo , Theoretical Study of Dual Catalytic Cycles for H2 and H2O Oxidations by a Half-Sandwich Iridium Complex
, ACS Catal., submitted, 2018.01.
32. M. H. Mahyuddin, Y. Shiota, and K. Yoshizawa, Methane Selective Oxidation to Methanol Catalyzed by Metal-Exchanged Zeolites: A Review of Active Sites and Their Reactivity
, Catal. Sci. Tech., submitted , 2018.01.
33. M. A. Abdel-Rahman, N. Al-Hashemi, M. F. Shibl, K. Yoshizawa, and A. M. El-Nahas, Thermochemistry and Kinetics of the Thermal Degradation of 2-Methoxyethanol as Biofuel Additives
, Sci. Rep., submitted, 2018.01.
34. Y. Hori, Y. Shiota, T. Ida, K. Yoshizawa, and M. Mizuno, Local structures and electronic properties of In atoms in In-doped ZnO
, Thin Solid Films, submitted, 2018.01.
35. M. A. Abdel-Rahman, T. M. El-Gogary, N. Al-Hashemi, M. F. Shibl, K. Yoshizawa, and A. M. El-Nahas, Computational Studies on the Thermodynamic and Kinetic Parameters of Oxidation of 2-Methoxyethanol Biofuel via H-Atom Abstraction by Methyl Radical
, submitted, 2018.01.
36. Y. Tsuji, W. Hashimoto, and K. Yoshizawa, Lithium-Richest Phase of Lithium Tetrelides Li17/Tt4 (Tt = Si, Ge, Sn, and Pb) as an Electride
, Chem. Sci., submitted, 2018.01.
37. R. K. Singha, Y. Tsuji, M. H. Mahyuddin, and K. Yoshizawa, Activation of Methane at Metal-Support Interface of Ni4-CeO2(111) Catalyst: A Theoretical Study
, J. Phys. Chem. C., submitted, 2018.01.
38. H. Shimomura, M. Horimoto, H. Kotani, T. Ishizuka, Y. Shiota, K. Yoshizawa, and T. Kojima, Fundamental Electron-Transfer and Proton-Coupled Electron Transfer Properties of Isolated Ru(IV)-Oxo Complexes
, J. Am. Chem. Soc., , submitted, 2018.01.
39. Y. Tsuji, Y. Kitamura, M. Someya, T. Takano, M. Yaginuma, K. Nakanishi, and K. Yoshizawa, Adhesion of Epoxy Resin with Hexagonal Boron Nitride and Graphite
, J. Phys. Chem. C., submitted, 2019.01.
40. Y. Hori, Y. Shiota, and K. Yoshizawa, Mechanistic Insights into Radical Chain Reactions of Methane Oxidation by Molecular Oxygen
, J. Phys. Chem. C., to be submitted , 2019.01.
41. T. Toyao, S. M. A. H. Siddiki, A. S. Touchy, W. Onodera, K. Kon, Y. Morita, T. Kamachi, K. Yoshizawa, K. Shimizu, TiO2-Supported Re as a General and Chemoselective Heterogeneous Catalyst for Hydrogenation of Carboxylic Acids to Alcohols, Chem. Eur. J., 10.1002/chem.201604762, 2017.04.
42. Yoshizawa Kazunari, Yoshihito Shiota, Acid-Base Properties of a Freebase Form of a Quadruply-Ring-Fused Porphyrin—Stepwise Protonation Induced by Rigid Ring-Fused Structure, J. Org. Chem., 10.1021/acs.joc.6b02419, 82 (1), 322-330, 2017.04.
43. Aleksandar Tsekov Staykov, Electrical Conductance and Diode-Like Behavior of Substituted Azulene
, Phys. Chem. C, 10.1021/acs.jpcc.6b10339, 121 (5) , 2504-2511, 2017.04.
44. Yoshizawa Kazunari, Takashi Kamachi, Redox Potentials of Cobalt Corrinoids with Axial Ligands Correlate with Heterolytic Co–C Bond Dissociation Energies
, Inorg. Chem., 10.1021/acs.inorgchem.6b02482, 56 (4), 1950-1955
, 2017.04.
45. Yoshizawa Kazunari, Yoshihito Shiota, Synergy of Electrostatic and van der Waals Interactions in the Adhesion of Epoxy Resin with Carbon-Fiber and Glass Surfaces, Bull. Chem. Soc. Jpn., 10.1246/bcsj.20160426, 90, 00-5005
, 2017.04.
46. Yoshizawa Kazunari, Yoshihito Shiota, σ-CAM Mechanisms for the Hydrogenation of Alkenes by cis- and trans-Disilametallacyclic Carbonyl Complexes (M = Fe, Ru, Os): Experimental and Theoretical Studies
, Bull. Chem. Soc. Jpn., 10.1246/bcsj.20170004, in press
, 2017.04.
47. Yoshizawa Kazunari, Yoshihito Shiota, Thermodynamics and Photodynamics of a Monoprotonated Porphyrin Directly Stabilized by Hydrogen Bonding with Polar Protic Solvents
, Chem. Eur., 10.1002/chem.201606012, 23 (19), 4669-4679
, 2017.04.
48. Yoshizawa Kazunari, Hiromasa Tanaka, Remarkable Catalytic Activity of Dinitrogen-Bridged Dimolybdenum-Dinitrogen Complexes Bearing N-Heterocyclic Carbene-Based PCP-Pincer Ligand toward Nitrogen Fixation under Ambient Reaction Conditions, Nature Commun., 10.1038/ncomms14874, 8, 14874/1-12, 2017.04.
49. Yoshizawa Kazunari, Hiromasa Tanaka, Phenylamine-functionalized mesoporous silica supported PdAg nanoparticles: a dual heterogeneous catalyst for the formic acid/CO2-mediated chemical hydrogen delivery/storage, Chem. Commun., 10.1039/C7CC00864C, in press, 2017.04.
50. M. H. Mahyuddin, A. Staykov, Y. Shiota, M. Miyanishi, K. Yoshizawa, Roles of Zeolite Confinement and Cu–O–Cu Angle on the Direct Conversion of Methane to Methanol by [Cu2(μ-O)]2+-exchanged AEI, CHA, AFX, and MFI Zeolites, ACS Catal., 10.1039/C7CC01840A, 2017.04.
51. D. Fujita, H. Sugimoto, Y. Shiota, Y. Morimoto, K. Yoshizawa, S. Itoh, Catalytic C–H amination driven by intramolecular ligand-to-nitrene one-electron transfer through a rhodium(III) centre, Chem. Commun., 10.1039/C7CC01840A, 2017.04.
52. Y. Tsuji, K. Yoshizawa, Frontier Orbital Perspective for Quantum Interference in Alternant and Non-Alternant Hydrocarbons, J. Phys. Chem. C, 10.1021/acs.jpcc.7b02274, 2017.04.
53. Y. Wang, T. Harada, Y. Shiota, K. Yoshizawa, H. Wang, S. Wang, X. Ye, M. Ogasawara, T. Nakano, Isolation and Phototransformation of Enatiomerically Pure Iridium(III) Bis[(4,6-difuorophenyl)pyridinato-N,C2]picolinate, RSC. Adv., 10.1039/C7RA04141A, 2017.05.
54. M. Kodera, T. Tsuji, A. Zaoputra, Y. Hitomi, K. Mieda, T. Ogura, Y. Shiota, K. Yoshizawa, H. Sato, Specific Enhancement of Catalytic Activity by a Dicopper Core in Selective Hydroxylation of Benzene to Phenol with Hydrogen Peroxide Catalyzed by Copper Complexes, Angew. Chem. Int. Ed., 10.1002/anie.201702291, 2017.06.
55. W. Suzuki, H. Kotani, T. Ishizuka, Y. Shiota, K. Yoshizawa, T. Kojima, Formation of Supramolecular Hetero-Triads by Controlling Hydrogen Bonding of Conjugate Bases with a Diprotonated Porphyrin Based on Electrostatic Interaction, Chem. Commun., 10.1039/C7CC03635C, 2017.05.
56. K. Arashiba, A. Eizawa, H. Tanaka, K. Nakajima, K. Yoshizawa, Y. Nishibayashi, Catalytic Nitrogen Fixation via Direct Cleavage of Nitrogen–Nitrogen Triple Bond of Molecular Dinitrogen under Ambient Conditions, Bull. Chem. Soc. Jpn., 10.1246/bcsj.20170197, 2017.07.
57. N. Ando, A. Fukazawa, T. Kushida, Y. Shiota, S. Itoyama, K. Yoshizawa, Y. Matsui, Y. Kuramoto, H. Ikeda, S. Yamaguchi, Photochemical Intramolecular C–H Addition of Dimesityl-(hetero)arylboranes via a [1,6]-Sigmatropic Rearrangement, Angew. Chem. Int. Ed., 10.1002/anie.201706929, 2017.08.
58. M. H. Mahyuddin, Y. Shiota, A. Staykov, K. Yoshizawa, Theoretical Investigation of Methane Hydroxylation over Isoelectronic [FeO]2+- and [MnO]+-Exchanged Zeolites Activated by N2O, Inorg. Chem, 10.1021/acs.inorgchem.7b01284, 2017.08.
59. T. Toyao, S. M. A. H. Siddiki, Y. Morita, T. Kamachi, A. S. Touchy, W. Onodera, K. Kon, S. Furukawa, H. Ariga, K. Asakura, K. Yoshizawa, K. Shimizu, Rhenium-Loaded TiO2: A Highly Versatile and Chemoselective Catalyst for the Hydrogenation of Carboxylic Acid Derivatives and the N-Methylation of Amines Using H2 and CO2, Chem. Eur. J., 10.1002/chem.201702801, 2017.09.
60. H. Furuno, T. Kawanami, K. Ishizuka, Y. Shiota, K. Yoshizawa, J. Inanaga, Efficient 1H NMR chiral discrimination of sulfoxides caused by the dynamic nature of (R,R)-3',3"-biBINOL, Tetrahedron Assymmetry, 10.1016/j.tetasy.2017.10.008, 2017.09.
61. T. Kamachi, S. M. A. H. Siddiki, Y. Morita, M. A. Ali, K. Kon, T. Toyao, K. Shimizu, K. Yoshizawa, Combined Theoretical and Experimental Study on Alcoholysis of Amides on CeO2 Surface: A Catalytic Interplay between Lewis Acid and Base Sites, Catal. Today, 10.1016/j.cattod.2017.09.006, 2017.09.
62. Yoshizawa Kazunari, Yoshihito Shiota, Persistent Four-Coordinate Iron-Centered Radical Stabilized by π-Donation, Chem. Sci., 10.1039/C5SC02601F, 7, 191-198, 2016.04.
63. Yoshizawa Kazunari, Yoshihito Shiota, Heterometallic FeIII/K coordination polymer with a wide thermal hysteretic spin transition around room temperature, Chem. Eur. J., 10.1002/chem.201503392, 22, 532-538, 2016.04.
64. Yoshizawa Kazunari, Takashi Kamachi, Yoshihito Shiota, Hiromasa Tanaka, Synthesis and Structure of a Water-soluble m-h1: h1-N2 Dinuclear RuII Complex with a Polyamine Ligand, Chem. Lett., 10.1246/cl.151004, 45, 149-151, 2016.04.
65. Yoshizawa Kazunari, Takashi Kamachi, Intraprotein transmethylation via a CH3-Co(III) species in myoglobin reconstituted with a cobalt corrinoid complex, Dalton Trans., 10.1039/C5DT04109K, 45, 3277-3284, 2016.04.
66. Yoshizawa Kazunari, Yoshihito Shiota, A New Family of Anionic FeIII Spin Crossover Complexes Featuring a Weak-field N2O4 Coordination Octahedron, Chem. Eur. J., 10.1002/chem.201504883, 22, 1253-1257, 2016.04.
67. Yoshizawa Kazunari, Takashi Kamachi, Crystal Structures and Coordination Behavior of Aqua- and Cyano-Co(III) Tetradehydrocorrins in the Heme Pocket of Myoglobin, Inorg. Chem., 10.1021/acs.inorgchem.5b02598, 55, 1287-1295, 2016.04.
68. Yoshizawa Kazunari, The chemistry of benzodisilacyclobutenes and benzobis(disilacyclobutene)s: New development of
transition-metal-catalyzed reactions, stereochemistry and theoretical studies, Dalton Trans., 10.1039/C5DT04569J, 45, 3210-3235, 2016.04.
69. Yoshizawa Kazunari, Yoshihito Shiota, Homogeneous Photocatalytic Water Oxidation with a Dinuclear CoⅢ-Pyridylmethylamine Complex, Inorg. Chem., 10.1021/acs.inorgchem.5b02336, 55, 1154-1164, 2016.04.
70. Yoshizawa Kazunari, Takashi Kamachi, Low-mode conformational search method with semiempirical quantum mechanical calculations: application to enantioselective organocatalysis, J. Chem. Inf. Mod., 10.1021/acs.jcim.5b00671, 56, 347-353, 2016.04.
71. Yoshizawa Kazunari, Yoshihito Shiota, Takashi Kamachi, Possible Peroxo State of the Dicopper Site of Particulate Methane Monooxygenase from Combined Quantum Mechanics and Molecular Mechanics Calculations, Inorg. Chem., 10.1021/acs.inorgchem.5b02603, 55, 2771-2775, 2016.04.
72. Yoshizawa Kazunari, Thermal behavior of benzobis(tetraethyldisilacyclobutene)
, Zeitschrift für Naturforschung B, 10.1515/znb-2015-0155, 71, 227-230 , 2016.04.
73. Yoshizawa Kazunari, Yoshihito Shiota, Formation and high reactivity of anti-dioxo form of high-spin μ-oxodioxodiiron(IV) as the active species that cleavages strong C-H bonds, Chem. Eur. J., 10.1002/chem.201600048, 22, in press, 2016.04.
74. Yoshizawa Kazunari, Yoshihito Shiota, Takashi Kamachi, Superior Thermoelasticity and Shape-Memory Nanopores in a Porous Supramolecular Organic Framework
, Nature Commun., in press , 2016.04.
75. Yoshizawa Kazunari, First-Principals Calculations of Electron Transport Through Azulene
, J. Phys. Chem. C, in press , 2016.04.
76. Yoshizawa Kazunari, Hiromasa Tanaka, Interplay between Theory and Experiment for Ammonia Synthesis by Transition Metal Complexes
, Acc. Chem. Res., in press , 2016.04.
77. Yoshizawa Kazunari, Hiromasa Tanaka, Unsymmetrical PNP-Pincer Type Phosphaalkene Ligands Protected by a Fused-Ring Bulky Eind Group: Synthesis and Applications to Rh(I) and Ir(I) Complexes, Organometallics, 10.1021/acs.organomet.6b00113, 35, 1526-1533, 2016.04.
78. Yoshizawa Kazunari, Yoshihito Shiota, Computational Study of Cyclobutane-1,3-diylidene Dicarbenes: Ground-State Spin Multiplicity and New Strategy Toward the Synthesis of Bicyclo[1.1.0]but-1(3)-enes, Bull. Chem. Soc. Jpn.
, in press, 2016.04.
79. Yoshizawa Kazunari, Yoshihito Shiota, The Role of Coulombic Interactions for Spin Crossover Behaviors and Crystal Structural Transformation in Novel Anionic Fe(III) Complexes from a π-Extended ONO Ligand, Crystals, 10.3390/cryst6050049, 6, 49-64, 2016.04.
80. Yoshizawa Kazunari, Takashi Kamachi, Computational Mutation Study on the Role of Catalytic Residues in Coenzyme B12-Dependent Diol Dehydratase, Bull. Chem. Soc. Jpn., in press, 2016.04.
81. Yoshizawa Kazunari, Energetic Mechanism of Cytochrome c - Cytochrome c Oxidase Electron Transfer Complex Formation under Turnover Conditions Revealed by Mutational Effects and Docking Simulation, J. Biol. Chem., in press, 2016.04.
82. Yoshizawa Kazunari, Hiromasa Tanaka, Catalytic transformation of molecular dinitrogen into ammonia and hydrazine by using iron-dinitrogen complexes bearing anionic PNP-pincer ligand, Nature Commun., in press, 2016.04.
83. Yoshizawa Kazunari, Yoshihito Shiota, Mechanistic Insights into C-H Oxidations by Ruthenium(III)-Pterin Complexes: Impact of Basicity of the Pterin Ligand and Electron Acceptability of the Metal Center on the Transition States, J. Am. Chem. Soc., in press, 2016.04.
84. Yoshizawa Kazunari, Yoshihito Shiota, An Azulene-Fused Tetracene Diimide with a Small HOMO-LUMO Gap
, ChemPlusChem, 10.1002/cplu.201600356, 81-86
, 2016.04.
85. Yoshizawa Kazunari, Direct Transformation of Molecular Dinitrogen into Ammonia Catalyzed by Cobalt-Dinitrogen Complexes Bearing Anionic PNP-Pincer Ligand, Angew. Chem. Int. Ed., 10.1002/anie.201606090, 55, 14291-14295, 2016.04, The direct formation of ammonia from moleculardinitrogen under mild reaction conditions was achieved byusing new cobalt dinitrogen complexes bearing an anionicPNP-type pincer ligand. Up to 15.9 equivalents of ammoniawere produced based on the amount of catalyst together with1.0 equivalent of hydrazine (17.9 equiv of fixednitrogenatoms).
86. Yoshizawa Kazunari, Hiromasa Tanaka, Azaferrocene-Based PNP-type Pincer Ligand: Synthesis of Molybdenum, Chromium, and Iron Complexes and Reactivity toward Nitrogen Fixation
, Eur. J. Inorg. Chem., 10.1002/ejic.201601051, 4856-4861 , 2016.04.
87. Yoshizawa Kazunari, A Ruthenium(III)-Oxyl Complex Bearing a Strong Radical Character
, Angew. Chem. Int. Ed., 10.1002/anie.201607861, 55, 14041-14045, 2016.04.
88. Yoshizawa Kazunari, Yoshihito Shiota, Push-pull fluorenones and benzazulenequinones: unprecedented regioselective [4 + 2] and [2 + 2] cycloadditions of benzopentalenequinone derivative and alkynes bearing an aniline moiety
, Tetrahedron Lett., 10.1016/j.tetlet.2016.09.002, 57, 4604-4607 , 2016.04.
89. Yoshizawa Kazunari, Takashi Kamachi, Thermally induced intra-carboxyl proton shuttle in a molecular rack-and-pinion cascade achieving macroscopic crystal deformation
, Angew. Chem. Int. Ed., 10.1002/anie.201607886, 55, 14628-14632 , 2016.04.
90. Yoshizawa Kazunari, Yoshihito Shiota, Push-pull fluorenones and benzazulenequinones: regioselective [4 + 2] and [2 + 2] cycloadditions of benzopentalenequinone derivative and alkynes bearing an aniline moiety
, Tetrahedron Lett., 10.1016/j.tetlet.2016.09.002, 57, 4604-4607 , 2016.04.
91. Yoshizawa Kazunari, Yoshihito Shiota, Directional Electron Transfer in Crystals of [CrCo] Dinuclear Complexes Achieved by a Chirality-Assisted Preparative Method
, J. Am. Chem. Soc., 10.1021/jacs.6b05089, 138 (43), 14170-14173 , 2016.04.
92. Yoshizawa Kazunari, Electrical conductivity of dithiophene-based diblock molecular Junctions
, Comp. Theoret. Chem., 10.1016/j.comptc.2016.11.012, 1099, 64-74, 2016.04.
93. Yoshizawa Kazunari, Hiromasa Tanaka, A Platinum(0) Complex with a Square Planar Geometry
, Angew. Chem. Int. Ed., 10.1002/anie.201609515, in press
, 2016.04.
94. Yoshizawa Kazunari, Yoshihito Shiota, Aleksandar Tsekov Staykov, Direct Conversion of Methane to Methanol by Metal-Exchanged ZSM-5 Zeolite (Metal = Fe, Co, Ni, and Cu)
, ACS Catal., 10.1021/acscatal.6b01721, in press , 2016.04.
95. Yoshizawa Kazunari, Yoshihito Shiota, Hiromasa Tanaka, Theoretical Study of the Catalytic Hydrogenation of Alkenes by a Disilaferracyclic Complex: Can the Fe-Si s-Bond-assisted Activation of H-H Bonds Allow Development of an Efficient Catalysis of Iron?
, J. Org. Chem., 10.1021/acs.joc.6b01961, in press
, 2016.04.
96. Yoshizawa Kazunari, Takashi Kamachi, TiO2-Supported Re as a General and Chemoselective Heterogeneous Catalyst for Hydrogenation of Carboxylic Acids to Alcohols, Chem. Eur. J., in press
, 2016.04.
97. Yoshizawa Kazunari, Takashi Kamachi, Anisotropic Change in Magnetic Susceptibility of a Dynamic Single Crystal of Cobalt(II) Complex, Angew. Chem. Int. Ed.
, in press, 2016.04.
98. Yoshizawa Kazunari, Yoshihito Shiota, Selective Carbon Dioxide Adsorption of ε-Keggin-type Zincomolybdate-based Purely-Inorganic 3D Frameworks , J. Mater. Chem. A, 10.1039/C4TA05496B, , 3, 746-755
, 2015.04.
99. Yoshizawa Kazunari, Yoshihito Shiota, A Ferromagnetically Coupled Fe42 Cyanide-Bridged Nanocage, Nature Commun., 10.1038/ncomms6955, , 6, 5955/1-6
, 2015.04.
100. Yoshizawa Kazunari, Yoshihito Shiota, Formation and Characterization of a Reactive Chromium(V)-Oxo Complex: A Mechanistic Insight into Hydrogen-Atom Transfer Reactions, Chem. Sci., 10.1039/C4SC02285H, , 6, 945-955
, 2015.04.
101. Yoshizawa Kazunari, Yoshihito Shiota, Controlling the Redox Properties of a Pyrroloquinolinequinone (PQQ) Derivative in a Ruthenium(II) Coordination Sphere
, Dalton Trans., 10.1039/C4DT03358B, , in press, 2015.04.
102. Yoshizawa Kazunari, Yoshihito Shiota, Mechanistic Study of Methanol Oxidation by RuIV–oxo complexes
, J. Porphyrins Phthalocyanines., , in press , 2015.04.
103. Yoshizawa Kazunari, Mechanistic Aspects in the Direct Synthesis of Hydrogen Peroxide from First Principles
, Catal. Today, 10.1016/j.cattod.2014.04.009, , 248, 142-148
, 2015.04.
104. Takashi Kamachi, Computational Exploration of the Mechanism of the Hydrogenation Step of the Anthraquinone Process for Hydrogen Peroxide Production
, J. Phys. Chem. C, 10.1021/acs.jpcc.5b01325, , 119, 8748-8754
, 2015.04.
105. Yoshizawa Kazunari, Cobalt-Catalyzed Transformation of Molecular Dinitrogen into Silylamine under Ambient Reaction Conditions , Chem. Eur. J., 10.1002/chem.201501088, , 21, 8905-8909 (2015)., 2015.04.
106. Yoshizawa Kazunari, Catalytic Reduction of Dinitrogen into Ammonia by Use of Molybdenum-Nitride Complexes Bearing Tridentate Triphosphine as Catalysts
, J. Am. Chem. Soc., 110.1021/jacs.5b02579, , 137, 5666-5669, 2015.04.
107. Yoshizawa Kazunari, Nitrogen fixation catalyzed by ferrocene-substituted dinitrogen-bridged dimolybdenum-dinitrogen complexes: unique behavior of ferrocene moiety as redox active site
, Chem. Sci.
, 10.1039/C5SC00545K, , 6, 3940-3951, 2015.04.
108. Yoshizawa Kazunari, Yoshihito Shiota, Hiromasa Tanaka, Proton-Assisted Mechanism of NO Reduction on a Dinuclear Ruthenium Complex, Inorg. Chem., 10.1021/acs.inorgchem.5b00394, 54 , 7181-7191 , 2015.04.
109. Yoshizawa Kazunari, Synergic Catalysis of PdCu Alloy Nanoparticles within a Macroreticular Basic Resin for Hydrogen Production from Formic Acid, Chem. Eur. J., , in press
, 2015.04.
110. Yoshizawa Kazunari, Yoshihito Shiota, cis-1,2-Aminohydroxylation of Alkenes Involving a Catalytic Cycle of Osmium(III) and Osmium(V) Centers: OsV(O)(NHTs) Active Oxidant with a Macrocyclic Tetradentate Ligand, Inorg. Chem., 10.1021/acs.inorgchem.5b01083, 54, 7073-7082 , 2015.04.
111. Yoshizawa Kazunari, Takashi Kamachi, Formation and Nitrile Hydrogenation Performance of Ru Nanoparticles on a K-doped Al2O3 Surface, Phys. Chem. Chem. Phys.
, 10.1039/C5CP03456F, 17, 24791-24802 , 2015.04.
112. Yoshizawa Kazunari, Yoshihito Shiota, Redox Non-Innocent Behavior of Tris(2-Pyridylmethyl)amine Bound to a Lewis Acidic Rh(III) Ion Induced by C-H Deprotonation, J. Am. Chem. Soc., 10.1021/jacs.5b06237, 137, 11222-11225 , 2015.04.
113. Yoshizawa Kazunari, Molecular design of electron transport with orbital rule: toward conductance-decay free molecular
junctions, Phys. Chem. Chem. Phys., 10.1039/C5CP05423K, 17, 32099-32110, 2015.04.
114. Yoshizawa Kazunari, Yoshihito Shiota, Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II)
complex, Nature Commun., 10.1038/ncomms9810, 6, 8810/1-7, 2015.04.
115. Yoshizawa Kazunari, Yoshihito Shiota, Hydrogen Atom Abstraction Reactions Independent of C-H Bond Dissociation Energies of Organic Substrates in Water: Significance of Oxidant-Substrate Adduct Formation, Chem. Sci., 10.1039/C3SC53002G, , 5, 1429-1436, 2014.04.
116. Yoshizawa Kazunari, Takashi Kamachi, Enantioselective Alkylation by Binaphthyl Chiral Phase-Transfer Catalysts: A DFT-Based Conformational Analysis
, Org. Lett., 10.1021/ol4033545, , 16, 472-472, 2014.04.
117. Yoshizawa Kazunari, Takashi Kamachi, Enantioselective Alkylation by Binaphthyl Chiral Phase-Transfer Catalysts: A DFT-Based Conformational Analysis
, Org. Lett., 10.1021/ol4033545, , 16, 472-472, 2014.04.
118. Yoshizawa Kazunari, Mechanism of N–H Bond Cleavage of Aniline by a Dearomatized PNP-Pincer Type Phosphaalkene Complex of Iridium(I)
, Organometallics, 10.1021/om401053j, , 33, 715-721, 2014.04.
119. Yoshizawa Kazunari, Unique Behavior of Dinitrogen-Bridged Dimolybdenum Complexes Bearing PNP Pincer Ligand toward Catalytic Reduction of Molecular Dinitrogen into Ammonia, Nature Commun, 10.1038/ncomms4737, , 5, 3737/1-11, 2014.04.
120. Yoshizawa Kazunari, Yoshihito Shiota, Roles of Carboxylate Donors in O-O Bond Scission of Peroxodiiron(III) to High-Spin Oxodiiron(IV) with a New Carboxylate-Containing Dinucleating Ligand, Chem. Sci., 10.1039/C3SC51541A , , in press, 2014.04.
121. Yoshizawa Kazunari, Mechanistic Aspects in the Direct Synthesis of Hydrogen Peroxide from First Principles, Ctal. Today, , in press , 2014.04.
122. Yoshizawa Kazunari, Yoshihito Shiota, DFT Study of the Mechanism for Methane Hydroxylation by Soluble Methane Monooxygenase (sMMO): Effects of Oxidation State, Spin State, and Coordination Number, Dalton Trans. , 10.1039/C2DT31304A, , 42, 1011-1023, 2013.04.
123. Yoshizawa Kazunari, Yoshihito Shiota, Thiophene-Fused Bisdehydro[12]annulene that Undergoes the [2+2] Alkyne Cycloaddition by Either Light or Heat
, J. Am. Chem. Soc., 10.1021/ja3126849, , 135, 1731-1734 , 2013.04.
124. Yoshizawa Kazunari, Yoshihito Shiota, Heteronuclear RuIIAgI Complexes Having a Pyrroloquinolinequinone (PQQ) Derivative as a Bridging Ligand, Inorg. Chem., 10.1021/ic302617b, , 52, 2274-2276 , 2013.04.
125. Yoshizawa Kazunari, Complete Photochromic Structural Change of Ruthenium(II)-Diimine Complexes Based on the Control of the Excited States by Metallation , Chem. Eur. J. , 10.1002/chem.201300437, , 19, 8978-8990 , 2013.04.
126. Yoshizawa Kazunari, Yoshihito Shiota, Multiply-Fused Porphyrins—Effects of Extended π-Conjugation on the Optical and Electrochemical Properties
, Chem. Commun. , 10.1039/C3CC42831A, , 49, 5939-5941 , 2013.04.
127. Yoshizawa Kazunari, Yoshihito Shiota, Role of Tyrosine Residue in Methane Activation at the Dicopper Site of pMMO: A DFT Study, Inorg. Chem. , 10.1021/ic400417d, , 52, 7907-7917 , 2013.04.
128. Yoshizawa Kazunari, Yoshihito Shiota, Bipod Dicyano Anchor Unit for Single Molecular Spintronic Devices, ChemPhysChem, 10.1002/cphc.201300136, , 14, 2470-2475
, 2013.04.
129. Yoshizawa Kazunari, Asymmetric Diarylethene as a Dual-Functional Device Combining Switch and Diode, Bull. Chem. Soc. Jpn., , in press, 2013.04.
130. Yoshizawa Kazunari, Facile N–H Bond Cleavage of Ammonia by an Iridium Complex Bearing a Non-innocent PNP-Pincer Type Phosphaalkene Ligand, J. Am. Chem. Soc. , 10.1021/ja407163z, , 135, 11791-11794, 2013.04.
131. Yoshizawa Kazunari, Yoshihito Shiota, Computational Prediction for Singlet- and Triplet-Transition Energies of Charge-Transfer Compounds, J. Chem. Theor. Comp., 10.1021/ct400415r, , in press, 2013.04.
132. Yoshizawa Kazunari, Yoshihito Shiota, Multi-Step Spin Crossover Accompanied by Symmetry Breaking in an Fe(III) Complex: Crystallographic Evidence and DFT Studies, Chem. Eur. J. , 10.1002/chem.201302272, , 19, 12948-12952 , 2013.04.
133. Yoshizawa Kazunari, Quantum Chemical Studies on Dioxygen Activation and Methane Hydroxylation by Diiron and Dicopper Species as well as Related Metal–Oxo Species
, Bull. Chem. Soc. Jpn., 10.1246/bcsj.20130127 , , 86, 1083-1116
, 2013.04.
134. Yoshizawa Kazunari, Takashi Kamachi, Oxidation of Silanes to Silanols on Pd Nanoparticles: H2 Desorption Accelerated by Surface Oxygen Atom, J. Phys. Chem. C, 10.1021/jp408269s, , 117, 22967-22973, 2013.04.
135. Yoshizawa Kazunari, Yoshihito Shiota, Light-induced Spin-crossover Actuated Single-chain Magnet
, Nature Commun., 10.1038/ncomms3826, , 4, 2826/1-6, 2013.04.
136. Yoshizawa Kazunari, Role of Edge Oxygen Atoms on the Adhesive Interaction between Carbon Fiber and Epoxy Resin, J. Phys. Chem. C , 10.1021/jp407835d, , 117, 24830-24835 , 2013.04.
137. Yoshizawa Kazunari, Yoshihito Shiota, Hydrogen Atom Abstraction Reactions Independent of C-H Bond Dissociation Energies of Organic Substrates in Water: Significance of Oxidant-Substrate Adduct Formation
, Chem. Sci. , 10.1039/C3SC53002G, , in press
, 2013.04.
138. Yoshizawa Kazunari, Takashi Kamachi, Enantioselective Alkylation by Binaphthyl Chiral Phase-Transfer Catalysts: A DFT-Based Conformational Analysis, Org. Lett. , 10.1021/ol4033545 , , in press
, 2013.04.
139. Yoshizawa Kazunari, Initial Step of B12-Dependent Enzymatic Catalysis: Energetic Implications Regarding Involvement of One-electron Reduced Form of Adenosylcobalamin Cofactor, Journal of Biological Inorganic Chemistry, , 17, 293-300 , 2012.04.
140. J. Li, and K. Yoshizawa, Mechanistic Insight into the Cleavage of an Aromatic C–C Bond by Tungsten, Chemistry-A European Journal, , 18,783-787 , 2012.04.
141. X. Li, A. Staykov, and K. Yoshizawa, Orbital Views on Electron Transport Properties of Cyclophanes: Insight into Intermolecular Transport, Bulletin of the Chemical Society of Japan, , 85, 181-188, 2012.04.
142. Y. Tsuji, A. Staykov, and K. Yoshizawa, Molecular Rectifier Based on π-π Stacked Charge Transfer Complex
, J. Phys. Chem. C, , 116, 2575-2580, 2012.04.
143. P. M. Kozlowski, M. Kumar, T. Kamachi, and K. Yoshizawa, Reductive Elimination Reaction Pathway for Methylcobalamin-mediated Homocysteine to Methionine Conversion: Mechanistic Ramifications for the Catalytic Cycle of Cobalamin-Dependent Methionine Synthase
, J. Biol. Inorg. Chem., , 17, 611-619, 2012.04.
144. T. Liu, D.-P. Dong, S. Kanegawa, S. Kang, O. Sato, Y. Shiota, K. Yoshizawa, S. Hayami, S. Wu, and C.-Y. Duan, Reversible Electron Transfer in a Linear {Fe2Co} Trinuclear Complex Induced by Thermal Treatment and Photoirradiation, Angew. Chem., Int. Ed., , 51, 4367-4370, 2012.04.
145. T. Hatanaka, Y. Ohki, T. Kamachi, T. Nakayama, K. Yoshizawa, M. Katada, and K. Tatsumi, Naphthalene and Anthracene Complexes Sandwiched by Two Cp*FeI Fragments: Strong Electronic Coupling Between the FeI Centers
, Chem. Asian J., , 7, 1231-1242 , 2012.04.
146. T. Nakayama, T. Kamachi, K. Jitsumori, R. Omi, K. Hirotsu, N. Esaki, T. Kurihara, and K. Yoshizawa, Substrate Specificity of Fluoroacetate Dehalogenase: An Insight from Crystallographic Analysis, Fluorescence Spectroscopy, and Theoretical Computations
, Chem. Eur. J., , 18, 8392-8402 , 2012.04.
147. T. Semoto, Y. Tsuji, and K. Yoshizawa, Molecular Understanding of the Adhesive Force between a Metal Oxide Surface and an Epoxy Resin: Effects of Surface Water
, Bull. Chem. Soc. Jpn., , 85, 672-678 , 2012.04.
148. H. Tanaka, Y. Shiota, K. Hori, A. Naka, M. Ishikawa, and K. Yoshizawa, Substituent Effects in Thermal Reactions of a Silene with Silyl-Substituted Alkynes: A Theoretical Study
, Organometallics, , 31, 4737-4747 , 2012.04.
149. Y. Tsuji, A. Staykov, and K. Yoshizawa, Orbital Determining Spintronic Propertie of a π-Conjugated System
, J. Phys. Chem. C, , 116, 16325-16332, 2012.04.
150. A. Staykov, T. Nishimi, K. Yoshizawa, and T. Ishihara, Oxygen Activation on Nanometer-Size Gold Nanoparticles
, J. Phys. Chem. C, , 116, 15992-16000, 2012.04.
151. A. Staykov, X. Li, Y. Tsuji, and K. Yoshizawa, Current Rectification in Nitrogen and Boron Doped Nanographenes and Cyclophanes
, J. Phys. Chem. C, , 116, 18451-18459 , 2012.04.
152. T. Kamachi, T. Nishimi, and K. Yoshizawa, Quantum mechanical/molecular mechanical study of a mechanism for heme oxidation by heme oxygenase, Dalton Trans., , 41, 11642-11650 , 2012.04.
153. K. Yoshizawa, An Orbital Rule for Electron Transport in Molecules
, Acc. Chem. Res. , , 45, 1612-1621 , 2012.04.
154. J. Koga, Y. Tsuji, and K. Yoshizawa, Orbital Control of Single-Molecule Conductance Perturbed by π-accepting Anchor Groups: Cyanide and Isocyanide
, J. Phys. Chem. C, , 116, 20607-20616 , 2012.04.
155. Yoshizawa Kazunari, Surface Oxygen Atom as Cooperative Ligand in Pd Nanoparticles Catalysis for Selective Hydration of Nitriles to Amides in Water: Experimental and Theoretical Studies
, ACS Catalysis, , 2, 2467-2474 , 2012.04.
156. Yoshizawa Kazunari, Inactivation Mechanism of Glycerol Dehydration by Diol Dehydratase from Combined QM/MM Calculations
, Biochemistry, , 51, 9202-9210 , 2012.04.
157. Yoshizawa Kazunari, Iron-Catalyzed Transformation of Molecular Dinitrogen into Silylamine under Ambient Conditions, Nature Commun., , 3, 1254/1-6, 2012.04.
158. Yoshizawa Kazunari, Current Rectification through π-π Stacking in Multilayered Donor-Acceptor Cyclophanes, J. Phys. Chem. C, , 116, 26625-26635 , 2012.04.
159. Yoshizawa Kazunari, Hydrolytic Enantioselective Protonation of Dienyl Esters and a Racemic β-Diketone with Chiral Phase-Transfer Catalysts, Org. Lett., , 14, 6178-6181 , 2012.04.
160. A. Staykov, J. Areephong, W. Browne, B. Feringa, and K. Yoshizawa, Electrochemical and Photochemical Cyclization and Cycloreversion of Diarylethenes and Diarylethene-Capped Sexithiophene Wires
A. Staykov, J. Areephong, W. Browne, B. Feringa, and K. Yoshizawa, ACS Nano, 5, 1165-1178 , ACS Nano, , 5, 1165-1178 , 2011.04.
161. A. Fukazawa, M. Kiguchi, S. Tange, Y. Ichihashi, Q. Zhao, T. Takahashi, T. Konishi, K. Murakoshi, Y. Tsuji, A. Staykov, K. Yoshizawa, and S. Yamaguchi, Phosphine Sulfides as an Anchor Unit for Single Molecule Junction
, Chemistry Letters, , 40, 174-176, 2011.04.
162. H. Tanaka, A. Sasada, T. Kouno, M. Yuki, Y. Miyake, H. Nakanishi, Y. Nishibayashi, and K. Yoshizawa, Molybdenum-Catalyzed Transformation of Molecular Dinitrogen into Silylamine: Experimental and DFT Study on Remarkable Role of Ferrocenyldiphosphine Ligands
, Journal of the American Chemical Society, , 133, 3498-3506 , 2011.04.
163. A. Staykov, Y. Tsuji, and K. Yoshizawa, Conductance through Short DNA Molecules
, Journal of Physical Chemistry C, , 115, 3481-3490, 2011.04.
164. T. Ishizuka, T. Sawaki, S. Miyazaki, M. Kawano, Y. Shiota, K. Yoshizawa S. Fukuzumi, and T. Kojima, Mechanistic Insights of Photochromic Behaviors with a Ruthenium(II)-Pterin Complex
, Chemistry – A European Journal, , 17, in press, 2011.04.
165. T. Kamachi, K. Doitomi, M. Takahata, T. Toraya, and K. Yoshizawa, Catalytic Roles of the Metal Ion in the Substrate-Binding Site of Coenzyme B12-Dependent Diol Dehydratase
, Inorganic Chemistry, , 50, in press , 2011.04.
166. Y. Tsuji, A. Staykov, and K. Yoshizawa, Orbital Views of Molecular Conductance Perturbed by Anchor Units, Journal of the American Chemical Society, , 133, in press, 2011.04.
167. J. Li, A. Staykov, T. Ishihara, and K. Yoshizawa, Theoretical Study of the Decomposition and Hydrogenation of H2O2 on Pd and Pd/Au Surfaces: Understanding toward High Selectivity of H2O2 Synthesis
, Journal of Physical Chemistry C , , 115, in press, 2011.04.
168. T. Kamachi, T. Kouno, K. Doitomi, and K. Yoshizawa, Generation of Adenosyl Radical from S-Adenosylmethionine (SAM) in Biotin Synthase
, Journal of Inorganic Biochemistry, , in press, 2011.04.
169. T. Nishimi, T. Kamachi, K. Kato, T. Kato, and K. Yoshizawa, Mechanistic Study on the Production of Hydrogen Peroxide in the Anthraquinone Process
, European Journal of Organic Chemistry, , in press, 2011.04.
170. H. Tanaka, F. Ohsako, H. Seino, Y. Mizobe and K. Yoshizawa , DFT study on Activation and Protonation of Dinitrogen on Cubane-Type MIr3S4 Clusters (M = V, Cr, Mn, Fe, Co, Ni, Cu, Mo, Ru and W)
, Inorganic Chemistry , , 49, 2464-2470, 2010.04.
171. P. M. Kozlowski, T. Kamachi, M. Kumar, T. Nakayama and K. Yoshizawa , Theoretical Analysis of Diradical Nature of Adenosylcobalamin Cofactor–Tyrosine Complex in B12-Dependent Mutases: Inspiring PCET Driven Enzymatic Catalysis
, Journal of Physical Chemistry B , , 114, 5928-5939, 2010.04.
172. T. Kojima, N. Hirasa, D. Noguchi, S. Miyazaki, Y. Shiota, K. Yoshizawa, and S. Fukuzumi, Synthesis and Characterization of Ruthenium(II)-Pyridylamine Complexes with Catechol Pendants as Metal Binding Sites
, Inorganic Chemistry, , 49, 3737-3745
, 2010.04.
173. Y. Shiota, D. Sato, G. Juhasz and K. Yoshizawa, Theoretical Study of Thermal Spin Transition between the Singlet State and the Quintet State in the [Fe(2-pic)3]2+ Spin Crossover System (2-pic: 2-picolylamine)
, Journal of Physical Chemistry A, , 114,5862-5877 , 2010.04.
174. X. Li, A. Staykov, and K. Yoshizawa, Orbital Views of the Electron Transport through Polycyclic Aromatic Hydrocarbons with Different Molecular Sizes and Edge Type Structures
, Journal of Physical Chemistry C , 114, 9997-10003, 2010.04.
175. H. Xu, G. Juhász, K. Yoshizawa, M. Takahashi, S. Kanegawa, and O. Sato, Mixed-Metal Complex [Fe(bipe)(Au(CN)2)2MeOH] with Gold Clusters: A Novel Two-Dimensional Polyrotaxane Net Clipped by Aurophilic Interaction
, Crystal Engineering Communications, , 12, 4031-4034 , 2010.04.
176. T. Kojima, Y. Hirai, Y. Shiota, K. Yoshizawa, K. Ikemura, T. Ogura, and S. Fukuzumi , A Low-Spin Ruthenium(IV)-Oxo Complex: Does the Spin State Have Impact on the Reactivity?
, Angewandte Chemie International Edition, 49, 8449-8453, 2010.04.
177. D. Sato, Y. Shiota, G. Juhász, and K. Yoshizawa, Theoretical Study of the Mechanism of Valence Tautomerism in Cobalt Complexes
, Journal of Physical Chemistry A , 114, 12928-12935, 2010.04.
178. Y. Shiota and K. Yoshizawa, Comparison of the Reactivity of Bis(µ-oxo)CuIICuIII and CuIIICuIII Species to Methane
, Inorganic Chemistry, 48, 838-845, 2009.04.
179. A. Staykov and K. Yoshizawa, Photochemical Reversibility of Ring-Closing and Ring-Opening Reactions in Diarylperfluorocyclopentenes
, Journal of Physical Chemistry C, 113, 3826-3834
, 2009.04.
180. G. Juhász, R. Matsuda, S. Kanegawa, K. Inoue, O. Sato, and K. Yoshizawa, Bistability of Magnetization without Spin-Transition in a High-Spin Cobalt(II) Complex due to Angular Momentum Quenching
, Journal of the American Chemical Society, 131, 4560-4561
, 2009.04.
181. H. Tanaka, Y. Shiota, T. Matsuo, H. Kawaguchi, and K. Yoshizawa, DFT Study on the Mechanism of N≡N Bond Cleavage by a Bis(μ-hydrido)diniobium Complex
, Inorganic Chemistry, 48, 3875–3881
, 2009.04.
182. T. Kamachi, M. Takahata, T. Toraya, and K. Yoshizawa, What is the Identity of the Metal Ions in the Active Sites of Coenzyme B12-Dependent Diol Dehydratase? A Computational Mutation Analysis
, Journal of Physical Chemistry B, 113, 8435-8438
, 2009.04.
183. T. Kamachi, T. Nakayama, O. Shitamichi, K. Jitsumori, T. Kurihara, N. Esaki, and K. Yoshizawa, Catalytic Mechanism of Fluoroacetate Dehalogenase: Computational Exploration of the Biological Dehalogenation
, Chemistry-A European Journal, 15, 7394-7403 , 2009.04.
184. Y. Tsuji, A. Staykov, and K. Yoshizawa, Orbital View Concept Applied on Photoswitching Systems
, Thin Solid Films, 518, 264-267 , 2009.04.
185. A. Naka, N. Senba, S. Motoike, H. Fujimoto, T. Miura, H. Kobayashi, K. Yoshizawa, and M. Ishikawa, Silicon-Carbon Unsaturated Compounds. 76. Photochemical and Thermal Behavior of 1-Silacyclobut-3-enes Generated from the Reaction of Pivaloyltris(trimethylsilyl)silane with tert-Butylacetylene
, Organometallics, 28, in press , 2009.04.
186. Y. Ito, H. Kondo, Y. Shiota, and K. Yoshizawa, Theoretical Analysis of the Reaction Mechanism of Biotin Carboxylase, Journal of Chemical Theory and Computation, 4, 366-374, 2008.04.
187. T. Kojima, D. Noguchi, T. Nakayama, Y. Inagaki, Y. Shiota, K. Yoshizawa, K. Ohkubo, and S. Fukuzumi, Synthesis and Characterization of Novel Ferrocene-Containing Pyridylamine Ligand and Their Ruthenium(II) Complexes: Electronic Communication through Hydrogen-bonded Amide Linkage, Inorganic Chemistry, 47, 886-895, 2008.04.
188. A. Naka, S. Motoike, N. Senbu, J. Ohshita, A. Kunai, K. Yoshizawa, and M. Ishikawa, Silicon-Carbon Unsaturated Compounds. 74. Thermal Behavior of 1-Silacyclobut-3-enes Generated from the Reaction of Acylpolysilanes with tert-Butylacetylene, Organometallics, 27, 2750-2755 , 2008.04.
189. H. Tanaka, H. Mori, H. Seino, M. Hidai, Y. Mizobe, and K. Yoshizawa, DFT Study on Chemical N2 Fixation by Using a Cubane-Type RuIr3S4 Cluster: Energy Profile for Binding and Reduction of N2 to Ammonia via Ru-N-NHx (x = 1-3) Intermediates with Unique Structures, Journal of the American Chemical Society, 130、9037-9047, 2008.04.
190. Y. Hirata, T. Kojima, Y. Mizutani, Y. Shiota, K. Yoshizawa, and S. Fukuzumi, Rutenium-Catalyzed Selective and Efficient Oxygenation of Hydrocarbons with Water as an Oxygen Source
, Angewandte Chemie International Edition
, 47, 5772-5776, 2008.06.
191. K. Yoshizawa, T. Tada, and A. Staykov, Orbital Views of the Electron Transport in Molecular Devices, Journal of the American Chemical Society, 130, 9406-9413, 2008.06.
192. T. Kamachi, T. Nakayama, and K. Yoshizawa, Mechanism and Kinetics of Cyanide Destruction by Ferrate, Bulletin of the Chemical Society of Japan, 81,1212-1218, 2008.08.
193. D. Nozaki, Y. Girard, and K. Yoshizawa, Theoretical Study of Long-Ranged Electron Transport in Molecular Junction, Journal of Chemical Physics, 112, 17408-17415, 2008.08.
194. T. Kamachi, Y.-M. Lee, T. Nishimi, J. Cho, K. Yoshizawa, and W. Nam, Combined Experimental and Theoretical Approach to Understand the Reactivity of a Mononuclear Cu(II)–Hydroperoxo Complex in Oxygenation Reactions, Journal of Physical Chemistry A, 112, 13102-13108, 2008.10.
195. T. Inoue, Y. Shiota, and K. Yoshizawa, Quantum Chemical Approach to the Mechanism for the Biological Conversion of Tyrosine to Dopaquinone
, Journal of the American Chemical Society
, 130, 16890-16897, 2008.10.
196. A. Staykov, T. Kamachi, T. Ishihara, and K. Yoshizawa, Theoretical Study of the Direct Synthesis of H2O2 on Pd and Pd/Au Surfaces
, Journal of Physical Chemistry C, 112, 19501-19505 (2008).
, 2008.10.
197. P. M. Kozlowski, T. Kamachi, T. Toraya, and K. Yoshizawa, Does Cob(II)alamin Act as a Conductor in Coenzyme B12 Dependent Mutases?, Angewandte Chemie International Edition, 46, 980-983 , 2007.01.
198. K. Yoshizawa, T. Nakayama, T. Kamachi, and P. M. Kozlowski, Vibronic Interaction in Metalloporphyrin π-Anion Radicals, Journal of Physical Chemistry A, 111, 852-857 , 2006.04.
199. A. Staykov, D. Nozaki, and K. Yoshizawa, Photoswitching of Conductivity through a Diarylperfluorocyclopentene Nanowire, Journal of Physical Chemistry C, 111, 3517-3521, 2007.04.
200. M. S. Seo, T. Kamachi, T. Kouno, K. Murata, M. J. Park, K. Yoshizawa, and W. Nam, Combined Experimental and Theoretical Evidence for Nonheme Iron(III)-Alkylperoxo Species as a Sluggish Oxidant in Oxygenation Reactions, Angewandte Chemie International Edition, 46, 2291-2294 , 2007.01.
201. A. Staykov, D. Nozaki, and K. Yoshizawa, Theoretical Study of Donor-pi-Bridge-Acceptor Unimolecular Rectifier, Journal of Physical Chemistry C, 111, 11699-11705 , 2007.04.
202. T. Kamachi, T. Toraya, and K. Yoshizawa, Computational Mutation Analysis of Coenzyme B12-Dependent Diol Dehydratase, Chemistry-A European Journal, 13, 7864-7873 , 2007.04.
203. P. M. Kozlowski, Y. Shiota, S. Gomita, H. Seino, Y. Mizobe, and K. Yoshizawa, DFT Analysis of Cubane-Type FeIr3S4 Clusters. Dinitrogen Binding and Activation at the Tetrahedral Fe Site, Bulletin of the Chemical Society of Japan, 80, 2323-2328, 2007.04.
204. K. Yoshizawa, T. Nakayama, T. Kamachi, and P. M. Kozlowski, Vibronic Interaction in Metalloporphyrin π-Anion Radicals, Journal of Physical Chemistry A, 111, 852-857 , 2007.01.
205. T. Yumura, D. Nozaki, K. Hirahara, S. Bandow, S. Iijima, and K. Yoshizawa, Quantum Size Effect of Finite-Length Carbon Nanotubes, Royal Society of Chemistry, Annual Reports Progress of Chemistry, Section C, 102, 71-91 , 2006.04.
206. Y. Girard, M. Kondo, and K. Yoshizawa, Theoretical Study of a Neutral, Doubly Protonated, and Doubly Deprotonated Porphyrin Dithiolate used as a Molecular Switch, Chemical Physics, 327, 77-84, 2006.04.
207. K. Yoshizawa and Y. Shiota, Conversion of Methane to Methanol at the Mononuclear and Dinuclear Copper Sites of Particulate Methane Monooxygenase (pMMO): A DFT and QM/MM Study, Journal of the American Chemical Society, 128, 9873-9881, 2006.04.
208. K. Yoshizawa, Non-Radical Mechanism for Methane Hydroxylation by Iron-Oxo Complexes, Accounts of Chemical Research, 39, 375-382 , 2006.04.
209. Y. Shiota, K. Suzuki, and K. Yoshizawa, QM/MM Study on the Catalytic Mechanism of Benzene Hydroxylation over Fe–ZSM-5, Organometallics, 25, 3118-3123, 2006.04.
210. T. Kamachi, T. Kouno, W. Nam, and K. Yoshizawa, How Axial Ligands Control the Reactivity of High-Valent Iron(IV)–Oxo Porphyrin π-Cation Radicals in Alkane Hydroxylation: A Computational Study, IJournal of Inorganic Biochemistry, 100, 751-754, 2006.04.
211. K. Yoshizawa, N. Kihara, T. Kamachi, and Y. Shiota, Catalytic Mechanism of Dopamine β-Monooxygenase Mediated by Cu(III)–Oxo, Inorganic Chemistry, 45, 4034-3041, 2006.04.
212. K. Yoshizawa, N. Kihara, Y. Shiota, H. Seino, and Y. Mizobe, DFT Calculations of the Cubane-Type Mo2Ru2S4 Clusters. Stability of the Possible Dinitrogen Cluster and the Isolable Acetonitrile Cluster, Bulletin of the Chemical Society of Japan, 79, 53-58, 2006.04.
213. T. Kato, K. Yoshizawa, and T. Yamabe, "Jahn-Teller Effects in the Coronene Anions and Cations", Journal of Chemical Physics, 110, 249-255, 1999.01.
214. . Yoshizawa, Y. Shiota, and T. Yamabe, "Abstraction of Hydrogen Atom of Methane by Iron-oxo Species: Concerted Reaction Path Is Energetically More Favorable", Organometallics, 17, 2825-2831, 1998.02.
215. A. Ito, A. Taniguchi, K. Yoshizawa, K. Tanaka, and T. Yamabe, "Ab Initio CASSCF Study on Doublet and Quartet States of 1,3,5-Tris(methylene)benzene and 1,3,5-Benzenetriamine Trication", Bulletin of the Chemical Society of Japan, 71, 337-343, 1998.01.
216. K. Yoshizawa, K. Yahara, K. Tanaka, and T. Yamabe, "Bandgap Oscillation in Polyphenanthrenes", Journal of Physical Chemistry B, 102, 498-508, 1998.01.
217. K. Yoshizawa, Y. Shiota, and T. Yamabe, "Methane-Methanol Conversion by MnO+, FeO+, and CoO+: A Theoretical Study of Catalytic Selectivity", Journal of the American Chemical Society, 120, 564-572, 1998.01.
218. K. Yoshizawa, T. Kato, and T. Yamabe, "Vibronic Coupling and Jahn-Teller Effect in Negatively Charged Benzene and [18]Annulene", Journal of Chemical Physics, 108, 7637-7644, 1998.01.
219. T. Kinoshita, M. Fujita, H. Kaneko, K. Takeuchi, K. Yoshizawa, and T. Yamabe, "Hydrocarbon Anions with High Stability. Part 2. Structure and Stability of Cyclopentadienide Ions with Condensed Aromatic Rings", Bulletin of the Chemical Society of Japan, 71, 1145-1149, 1998.01.
220. T. Yamabe, G. Nuspl, H. Ago, T. Sato, and K. Yoshizawa, "Structure and Electronic Properties of Nano-Size Molecular Systems", Proceedings of the Second Symposium on Atomic-Scale Surface and Interface Dynamics, 255-259, 1998.01.
221. K. Yoshizawa, F. Mohri, G. Nuspl, and T. Yamabe, "Analysis of Photoinduced Magnetization in a (Co, Fe) Prussian Blue Model", Journal of Physical Chemistry B,, 102, 5432-5437, 1998.01.
222. K. Yoshizawa, "Two-Step Concerted Mechanism for Alkane Hydroxylation on the Ferryl Active Site of Methane Monooxygenase", Journal of Biological Inorganic Chemistry (A special issue for the structure and mechanism of soluble methane monooxygenase), 3, 318-324, 1998.01.
223. G. Nuspl, M. Nagaoka, K. Yoshizawa, F. Mohri, and T. Yamabe, "Lithium Diffusion in LixCoO2 Electrode Materials", Bulletin of the Chemical Society of Japan, 71, 2259-2265, 1998.01.
224. K. Yoshizawa, T. Kato, and T. Yamabe, "Second-Order Perturbational Effect on the Interlayer Interactions in Graphite and Graphite Intercalation Compounds", Bulletin of the Chemical Society of Japan, 71, 2087-2095, 1998.01.
225. K. Yoshizawa, T. Ohta, and T. Yamabe, "Methane Hydroxylation on a Diiron Model of Soluble Methane Monooxygenase", Bulletin of the Chemical Society of Japan, 71, 1899-1909, 1998.01.
226. K. Yoshizawa, T. Kato, M. Tachibana, and T. Yamabe, "Vibronic Interactions in Silicon Polyhedra of the Si46 Clathrate Compound", Journal of Physical Chemistry A, 102, 10113-10119, 1998.01.
227. K. Yoshizawa, T. Kato, and T. Yamabe, "Electron-Phonon Coupling in the One-Dimensional Crystals of Negatively Charged [18]Annulene", Journal of Chemical Physics, 109, 8514-8520, 1998.01.
228. A. Naka, K. Yoshizawa, S.-Y. Kang, T. Yamabe, and M. Ishikawa, "Synthesis and Platinum- and Palladium-Catalyzed Reactions of Benzo[1,2:4,5]bis(1,1,2,2-tetraethyl-1,2-disilacyclobut-3-ene)", Organometallics, 17, 5830-5835, 1998.01.
主要総説, 論評, 解説, 書評, 報告書等
1. 吉澤一成, 計算化学の先導するメタン酸化触媒の開発および実験との連携, ペトロテック(石油学会誌), 2018.03.
2. 吉澤一成, 第一原理計算による接着界面相互作用の研究, 接着の技術誌, 2017.10.
3. 田中宏昌, 村田裕幸, 吉澤一成, 接着の分子機構, 異種材料の接着・接合技術とマルチマテリアル化, 2017.10.
4. 西林仁昭、荒芝和也、永澤 彩、中島一成、吉澤一成、田中宏昌, 分子触媒を利用した窒素固定反応の新展開―新しい反応経路を通ることで触媒活性が向上!, 化学, 2017.12.
主要学会発表等
1. 吉澤一成, メタン活性化の軌道原理と水酸化機構, 日本化学会第99春季年会, 2018.03.
2. 吉澤一成, 理論・実験の連携によるメタン酸化触媒の開発, CREST・さきがけ「革新的触媒」合同成果シンポジウム, 2017.11.
3. 吉澤一成、塩田淑仁、蒲池高志, 計算化学の先導するメタン酸化触媒の開発, 日本コンピュータ化学会2017秋季年会, 2017.10.
4. 吉澤一成, 接着の分子論的理解, 第66回高分子討論会, 2017.09.
5. 吉澤一成, Frontier Orbital Views of Electron Transport in Molecules, ACCMS-9, 2017.08.
6. 吉澤 一成, 酵素触媒反応種の状態変化と活性制御に関する理論的研究, 新学術領域研究「感応性化学種が拓く新物質科学」第2回国際シンポジウム, 2017.03.
7. 吉澤 一成, 計算化学が先導するメタン酸化触媒の開発, 第49回酸化反応討論会, 2016.11.
8. 吉澤 一成, 接着の分子論, 第2回統合物質国内シンポジウム, 2017.01.
9. 吉澤 一成, 接着現象の分子論, 先端化学・材料技術部会・コンピュータケミストリ分科会講演会, 2016.11.
10. 吉澤 一成, Molecular Understanding of the Mechanism of Adhesion between Epoxy Resin and Metal Surface, Japan-France-Spain Joint-Symposium on Theoretical and Computational Science of Complex Systems, 2016.10.
11. 吉澤 一成, 計算化学が先導するメタン酸化触媒の開発と触媒設計技術の創成, CREST「革新的触媒」領域全体チーム会議, 2016.10.
12. 吉澤 一成, Quantum Chemical Studies on the Enzymes and Catalysts for Methane Hydroxylation, ICMM2016 Satellite Meeting ‘Molecular Technology for Functionalities’, 2016.09.
13. 吉澤 一成, Quantum Chemical Studies for the Development of Innovative Catalysts, 20th International Annual Symposium on Computational Science and Engineering, 2016.07.
14. 吉澤 一成, 接着現象の分子論, 防錆管理士会平成28年度通常総会記念講演会, 2016.06.
15. 吉澤 一成, 接着の分子論, JIEP最先端実装技術シンポジウム, 2016.06.
16. 吉澤 一成, 計算化学が先導するメタン酸化触媒の開発と触媒設計技術の創成, さきがけ「革新的触媒の科学と創製」第2回領域会議, 2016.05.
17. 吉澤 一成, 接着の分子論, 新学術領域研究第5回公開シンポジウム, 2016.05.
18. 吉澤 一成, アンモニア合成反応における理論と実験のインタープレイ, 分子研研究会「触媒の分子科学:理論と実験のインタープレイ最前線」, 2016.03.
19. 吉澤 一成, 計算化学が先導するメタン酸化触媒の開発と触媒設計技術の創成, CRESTキックオフミーティング, 2016.03.
20. 吉澤 一成, 接着現象の分子論, 日本防錆技術学校 技術講演会「接着現象の分子論」, 2016.02.
21. 吉澤 一成, 接着の分子論, 機能性ハイブリッド材料研究会 公開研究会, 2016.02.
22. 吉澤 一成, Molecular Understanding of the Mechanism of Adhesion: From Epoxy Resin to Biological Recognition., 第5回統合物質国際シンポジウム, 2016.01.
23. 吉澤 一成, Participation of multi-oxidants in the pH dependence of the reactivity of ferrate(VI)., PACIFICHEM 2015, 2015.12.
24. 吉澤 一成, Mechanism of NO reduction on a dinuclear metal complex., PACIFICHEM 2015, 2015.12.
25. 吉澤 一成, ラジカル酵素の理論的考察, BMB2015, 2015.12.
26. 吉澤 一成, Mechanism of Nitrogen Fixation Catalyzed by a Dinitrogen-Bridged Dimolybdenum Complex., Spain-Japan Joint Symposium on Theoretical and Computational Chemistry of Complex Systems, 2015.11.
27. 吉澤 一成, 大規模量子化学計算によるソフトマテリアルの物性と反応解析:酵素反応および界面現象など, 京都市成長産業創造センター創立2周年記念フォーラム, 2015.10.
28. 吉澤 一成, Quantum Chemical Studies on Dioxygen Activation and Methane Hydroxylation by Diiron and Dicopper Species as well as Related Metal-Oxo Species., 北海道大学触媒科学研究所改組記念講演会, 2015.10.
29. 吉澤 一成, 量子力学によるエポキシ樹脂の接着理論, エポキシ樹脂技術協会第43期特別講演会, 2015.09.
30. 吉澤 一成, Possible Peroxo State for the Dicopper Site of Particulate MethaneMonooxygenase., RIKEN Symposium, 2015.06.
31. 吉澤 一成, 一酸化窒素の還元機構について:二核ルテニウム錯体からの考察, 第42回生体分子科学討論会, 2015.06.
32. 吉澤 一成, 物質創製化学における計算化学の役割と将来展望, 第6回統合物質シンポジウム, 2015.04.
33. 吉澤 一成, Frontier Orbital Rule for Electron Transport in Molecules., CECAM workshop, 2015.04.
その他の優れた研究業績
2018.02, ローム㈱との産学連携研究.
2018.02, 三菱ガス化学㈱との産学連携研究.
2017.02, 三菱ガス化学㈱との産学連携研究.
2012.12, 西林仁昭准教授らの研究グループ(東京大学大学院工学系研究科附属総合研究機構)との共同研究で、単純で安価な鉄錯体を触媒に用いて常温常圧の極めて温和な反応条件下で窒素ガスを還元することに成功し、アンモニア等価体であるシリルアミンを触媒的に合成する方法の開発に成功した。.
学会活動
所属学会名
日本接着学会
近畿化学協会
分子科学会
日本化学会
日本物理学会
高分子学会
触媒学会
米国化学会
学協会役員等への就任
2019.04, 日本学術振興会 世界トップレベル研究拠点プログラム(WPI)委員会拠点作業部会委員, .
2013.10, Frontiers in Chemistry, 編集委員.
2017.10, 英国化学会 New Journal of Chemistry, 編集委員.
2000.04~2001.03, 日本化学会, 幹事.
学会大会・会議・シンポジウム等における役割
2018.09.10~2018.09.13, 第8回分子科学討論会, 実行委員会副委員長.
2018.11~2018.11.01, 第51回酸化反応討論会, 実行委員会委員長.
2018.01~2018.01.21, IRCCS-JST CREST Joint Symposium “Chemical Sciences facing Difficult Challenges”, 主催.
2016.04~2016.04.21, 第70回藤原セミナー“New Development of Physical Organic Chemistry: Construction of Chemical Principles Determining Structures, Reactions, and Properties”, 実行委員長.
2014.01~2014.01.21, The 3rd International Conference on the MEXT Project of Integrated Research on Chemical Synthesis “Synergy of Theory and Molecular Transformation, 主催.
2011.09.02~2011.09.08, ISTCP-Ⅶ, 座長(Chairmanship).
2011.03.26~2011.03.29, 日本化学会第91春季年会, 座長(Chairmanship).
2009.03.27~2009.03.30, 日本化学会第89春季年会, 座長(Chairmanship).
2008.03, 日本化学会第88春季年会, 座長(Chairmanship).
2007.03, 日本化学会第87春季年会, 座長(Chairmanship).
2006.03, 日本化学会第86春季年会, 座長(Chairmanship).
2005.03, 日本化学会第85春季年会, 座長(Chairmanship).
2004.03, 日本化学会第84春季年会, 座長(Chairmanship).
2003.10, 日本コンピュータ化学会2003秋季年会, 座長(Chairmanship).
2003.03, 日本化学会第83春季年会, 座長(Chairmanship).
2001.03, 日本化学会第79春季年会, 座長(Chairmanship).
2000.06, 2000計算化学討論会, 座長(Chairmanship).
2016.04.17~2016.04.20, 藤原セミナー, 主催者.
2015.07.24~2015.07.25, 九重分子科学セミナー2015(福岡), 主催者 組織委員.
2011.09.02~2011.09.08, International Journal of Quantum Chemistry, ISTCP VII Proceedings, Guest editor.
2012.03.05~2012.03.06, 第4回日仏計算化学ワークショップ, 組織委員 主催者.
2011.09.02~2011.09.08, ISTCP VII, 組織委員.
2011.07.29~2011.07.30, 九重分光セミナー, 主催者 組織委員.
2008.09.24~2008.09.27, 分子科学討論会, 組織委員.
2008.05.07~2008.05.09, ナノ学会, 組織委員.
2007.07.27~2007.07.28, 九重分光セミナー, 主催者 組織委員.
2006.03.02~2006.03.04, ESPMI 06, 組織委員.
学術論文等の審査
年度 外国語雑誌査読論文数 日本語雑誌査読論文数 国際会議録査読論文数 国内会議録査読論文数 合計
2018年度 30  30 
2017年度 30  30 
2016年度 30  30 
2015年度 30  30 
2014年度 30  30 
2013年度 30  30 
2012年度 30  30 
2011年度 30  30 
2010年度 30  30 
2009年度 30  30 
2008年度 30  30 
2007年度 30  30 
2006年度 25  25 
2005年度 25  25 
2004年度 25  25 
2003年度 26  26 
2002年度 25  25 
その他の研究活動
海外渡航状況, 海外での教育研究歴
Academia Sinica, Taiwan, 2003.10~2003.10.
スウェーデン王立科学アカデミー, Sweden, 2002.07~2002.07.
スウェーデン王立科学アカデミー, Sweden, 2002.07~2002.07.
外国人研究者等の受入れ状況
2018.09~2018.11, 1ヶ月以上, 九州大学先導物質化学研究所, Egypt.
2017.10~2018.06, 九州大学先導物質化学研究所, India.
2017.01~2017.02, 1ヶ月以上, 九州大学先導物質化学研究所, China.
2014.12~2015.05, 1ヶ月以上, 九州大学先導物質化学研究所, Egypt.
2014.05~2014.06, 1ヶ月以上, 九州大学先導物質化学研究所, India.
2013.10~2014.02, 1ヶ月以上, 九州大学先導物質化学研究所, China.
2013.03, 1ヶ月以上, 先導物質化学研究所, India.
2012.07~2012.12, 1ヶ月以上, 九州大学先導物質化学研究所, UnitedStatesofAmerica.
2011.07~2011.12, 1ヶ月以上, 九州大学先導物質化学研究所, Poland.
2010.11, 1ヶ月以上, 日本学術振興会, China.
2010.07~2010.09, 1ヶ月以上, 九州大学先導物質化学研究所, China.
2009.09, 1ヶ月以上, 九州大学先導物質化学研究所, Hungary.
2009.05, 1ヶ月以上, 九州大学先導物質化学研究所, UnitedStatesofAmerica.
2009.04, 1ヶ月以上, 九州大学大学院工学研究院, China.
2008.09, 1ヶ月以上, 日本学術振興会, Bulgaria.
2007.09~2009.08, 1ヶ月以上, 日本学術振興会, Hungary.
2006.08, 1ヶ月以上, 九州大学大学院工学研究院, Bulgaria.
2005.11, 1ヶ月以上, 九州大学先導物質化学研究所, UnitedStatesofAmerica.
2005.06~2006.02, 1ヶ月以上, 九州大学大学院工学研究院, Korea.
2005.04, 1ヶ月以上, France, 日本学術振興会.
2002.07~2002.10, 1ヶ月以上, Russian Academy of Science, Russia, 文部科学省.
受賞
錯体化学会貢献賞, 錯体化学会, 2018.08.
BCSJ Award, 2017.06.
BCSJ Award, 2017.05.
日本化学会学術賞, 日本化学会, 2010.03.
BCSJ賞, 日本化学会, 2012.06.
BCSJ賞, 日本化学会, 2012.02.
BCSJ賞, 日本化学会, 2008.10.
岩谷科学技術研究助成 , 岩谷直治記念財団, 2000.07.
武田科学振興財団研究奨励, 武田科学振興財団, 2002.04.
村田学術振興財団研究助成, 村田学術振興財団, 2003.07.
研究資金
科学研究費補助金の採択状況(文部科学省、日本学術振興会)
2017年度~2019年度, 基盤研究(B), 代表, 高分子異種材料間の相互作用に関する理論的研究.
2015年度~2016年度, 萌芽研究, 代表, 接着の分子論とその展開.
2012年度~2016年度, 新学術領域研究, 代表, 酵素触媒反応種の状態変化と活性制御に関する理論的研究.
2010年度~2013年度, 基盤研究(A), 代表, 量子化学計算による人工変異酵素の設計と反応制御.
2010年度~2012年度, 特別研究員奨励費, 代表, 新炭素材料の成長機構と電子物性.
2008年度~2010年度, 特別研究員奨励費, 代表, 金属表面におけるナノ電子物性と触媒反応に関する理論的研究.
2007年度~2009年度, 特別研究員奨励費, 代表, 遷移金属錯体および金属酵素に関する理論的研究.
2006年度~2010年度, 学術創成研究費, 分担, 還元系金属酵素の構造と反応性に関する理論的研究.
2006年度~2009年度, 特定領域研究, 代表, 生体系の柔軟な構造と反応過程の理論化学.
2006年度~2008年度, 基盤研究(B), 代表, 量子化学計算による生物無機化学の新たな展開.
2002年度~2004年度, 萌芽研究, 代表, 分子ナノワイヤーの設計と構築.
2002年度~2004年度, 基盤研究(B), 代表, 大規模密度汎関数計算による生体化学反応へのアプローチ.
競争的資金(受託研究を含む)の採択状況
2018年度~2019年度, 未来社会創造事業, 代表, 第一原理計算による接着界面相互作用の研究.
2015年度~2020年度, 戦略的創造研究推進事業 (文部科学省), 代表, 計算化学が先導するメタン酸化触媒の開発と触媒設計技術の創成.
2015年度~2020年度, 戦略的創造研究推進事業 (文部科学省), 分担, 理論化学によるアンモニア合成に関する研究.
共同研究、受託研究(競争的資金を除く)の受入状況
2018.04~2019.03, 代表, エレクトロニクスにおける金属‐樹脂接着界面の分子論的研究.
2017.06~2018.03, 代表,  エレクトロニクスにおける金属‐樹脂接着界面の分子論的研究.
2016.04~2017.03, 代表, 改質反応メカニズムの理論解析.
2015.06~2016.03, 代表, PM燃焼触媒反応の計算機シミュレーションによる解析.
2014.04~2015.03, 組織対応型連携の効率的な実施のための技術課題研究.
2011.07, 糖鎖ペプチドの構造と機能に関する計算化学的研究.
2006.01, 人工合成錯体による窒素固定の研究.
2006.01, 人工合成錯体によるCH結合活性化の研究.
2005.01, 金属酵素の反応に関する理論的研究.
2002.01, 導電性高分子の電子状態に関する理論的研究.
2002.01, 高分子の重合機構に関する理論的研究.
2000.01, 導電性ナローギャップポリマーの設計に関する理論的研究.
2000.01, 新炭素材料の構造に関する理論的研究.
2000.01, 分子性超伝導に関する理論的研究.
1999.01, 分子デバイスに関する理論的研究.
1998.01, トロピリウムイオンの溶媒和構造に関する理論的研究.
1998.01, B12-ジオールデヒドラーゼの触媒機能に関する理論的研究.
1998.01, 有機ケイ素化合物の構造と反応性に関する理論的研究.
寄附金の受入状況
2006年度, 半導体エネルギー研究所, 吉澤一成研究資金.

九大関連コンテンツ

pure2017年10月2日から、「九州大学研究者情報」を補完するデータベースとして、Elsevier社の「Pure」による研究業績の公開を開始しました。
 
 
九州大学知的財産本部「九州大学Seeds集」