Theoretical study of oxygen activation by iron and copper catalysts

• Project/Area Number: 16K05725
• Research Category: Grant-in-Aid for Scientific Research (C)
• Allocation Type: Multi-year Fund
• Section: 一般
• Research Field: Inorganic chemistry
• Research Institution: Kyushu University
• Principal Investigator: SHIOTA YOSHIHITO 九州大学, 先導物質化学研究所, 准教授 (70335991)
• Project Period (FY): 2016-04-01 – 2020-03-31
• Project Status: Completed (Fiscal Year 2019)
• Budget Amount: ¥4,550,000 (Direct Cost: ¥3,500,000、Indirect Cost: ¥1,050,000); Fiscal Year 2019: ¥910,000 (Direct Cost: ¥700,000、Indirect Cost: ¥210,000); Fiscal Year 2018: ¥1,170,000 (Direct Cost: ¥900,000、Indirect Cost: ¥270,000); Fiscal Year 2017: ¥1,170,000 (Direct Cost: ¥900,000、Indirect Cost: ¥270,000); Fiscal Year 2016: ¥1,300,000 (Direct Cost: ¥1,000,000、Indirect Cost: ¥300,000)
• Keywords: 量子化学計算 / 触媒反応 / 遷移状態 / C-H結合活性化 / 酸素活性化 / 反応機構解析 / 量子化学 / メタン活性化 / 電子状態 / 触媒

Outline of Final Research Achievements

zeolites (microporous aluminosilicate minerals) have been gaining significant popularity due to their broad applications in catalysis including the dream reaction of selective oxidation (hydroxylation) of methane to methanol at low temperature. In this review, we outline the current main challenges in the development of Fe-, Cu-, Co- and Ni-exchanged zeolites for methane hydroxylation and summarize key findings that have been reported in both spectroscopy and computational studies.

Academic Significance and Societal Importance of the Research Achievements

量子化学計算を用いてメタンの直接酸化反応を触媒する活性種の電子構造が明らかとなった。これらの知見から天然ガスを効率よく変換する化学反応に利用する触媒開発に弾みがつくと期待される。またこれらの研究から炭化水素の有用な化合物への直接変換が可能になる。

Research Products

• [Journal Article] Mechanistic Study on Ring-Contracting Skeletal Rearrangement from Porphycene to Isocorrole by Experimental and Theoretical Methods (2020)
  • Author(s): Koide Taro、Maeda Takafumi、Abe Tsukasa、Shiota Yoshihito、Yano Yoshio、Ono Toshikazu、Yoshizawa Kazunari、Hisaeda Yoshio
  • Journal Title: European Journal of Organic Chemistry Volume: 2020 Issue: 12 Pages: 1811-1816
  • DOI: 10.1002/ejoc.201901659
  • Peer Reviewed / Open Access
• [Journal Article] Iron complex of a quadruply fused porphyrin: Synthesis, structure and redox properties (2020)
  • Author(s): Tomoya Ishizuka, Keiyu Komamura, Yuta Saegusa, Shogo Tanaka, Yoshihito Shiota, Kazunari Yoshizawa, Takahiko Kojima
  • Journal Title: Journal of Porphyrins and Phthalocyanines Volume: 24 Issue: 01n03 Pages: 252-258
  • DOI: 10.1142/s1088424619500846
  • Peer Reviewed
• [Journal Article] Computational Study on the Light-Induced Oxidation of Iridium?Aqua Complex to Iridium?Oxo Complex over WO3(001) Surface (2019)
  • Author(s): Ikeda Kei、Mahyuddin Muhammad Haris、Shiota Yoshihito、Staykov Aleksandar、Matsumoto Takahiro、Ogo Seiji、Yoshizawa Kazunari
  • Journal Title: Inorganic Chemistry Volume: 59 Issue: 1 Pages: 415-422
  • DOI: 10.1021/acs.inorgchem.9b02704
  • Peer Reviewed / Int'l Joint Research
• [Journal Article] Cupric-superoxide complex that induces a catalytic aldol reaction-type C-C bond formation (2019)
  • Author(s): T. Abe, Y. Hori, Y. Shiota, T. Ohta, Y. Morimoto, H. Sugimoto, T. Ogura, K. Yoshizawa, and S. Itoh
  • Journal Title: Communications Chemistry Volume: 2 Issue: 1 Pages: 1-7
  • DOI: 10.1038/s42004-019-0115-6
  • Peer Reviewed / Open Access
• [Journal Article] Giant anisotropic thermal expansion actuated by thermodynamically assisted reorientation of imidazoliums in a single crystal (2019)
  • Author(s): Yao Zi-Shuo、Guan Hanxi、Shiota Yoshihito、He Chun-Ting、Wang Xiao-Lei、Wu Shu-Qi、Zheng Xiaoyan、Su Sheng-Qun、Yoshizawa Kazunari、Kong Xueqian、Sato Osamu、Tao Jun
  • Journal Title: Nature Communications Volume: 10 Issue: 1 Pages: 4805-4805
  • DOI: 10.1038/s41467-019-12833-y
  • Peer Reviewed / Open Access / Int'l Joint Research
• [Journal Article] Temperature dependence of spherical electron transfer in a nanosized [Fe14] complex (2019)
  • Author(s): W. Huang, S. Wu, X. Gu, Y. Li, A. Okazawa, N. Kojima, S. Hayami, M. L. Baker, P. Bencok, M. Noguchi, Y. Miyazaki, M. Nakano, T. Nakanishi, S. Kanegawa, Y. Inagaki, T. Kawae, G. Zhuang, Y. Shiota, K. Yoshizawa, D. Wu, O. Sato
  • Journal Title: Nature Communications Volume: 10 Issue: 1 Pages: 5510-5510
  • DOI: 10.1038/s41467-019-13279-y
  • Peer Reviewed / Open Access / Int'l Joint Research
• [Journal Article] Real-space observation of far- and near-field-induced photolysis of molecular oxygen on an Ag(110) surface by visible light (2019)
  • Author(s): Lin Chenfang、Ikeda Kei、Shiota Yoshihito、Yoshizawa Kazunari、Kumagai Takashi
  • Journal Title: The Journal of Chemical Physics Volume: 151 Issue: 14 Pages: 144705-144705
  • DOI: 10.1063/1.5112158
  • Peer Reviewed / Int'l Joint Research
• [Journal Article] Formation of a Ruthenium(V)-Imido Complex and the Reactivity in Substrate Oxidation in Water through the Nitrogen Non-Rebound Mechanism (2019)
  • Author(s): Tomoya Ishizuka, Taichi Kogawa, Misaki Makino, Yoshihito Shiota, Kazuaki Ohara, Hiroaki Kotani, Shunsuke Nozawa, Shin-ichi Adachi, Kentaro Yamaguchi, Kazunari Yoshizawa, Takahiko Kojima
  • Journal Title: Inorganic Chemistry Volume: 58 Issue: 19 Pages: 12815-12824
  • DOI: 10.1021/acs.inorgchem.9b01781
  • Peer Reviewed / Int'l Joint Research
• [Journal Article] Role of Amino Acid Residues for Dioxygen Activation in the Second Coordination Sphere of the Dicopper Site of pMMO (2019)
  • Author(s): Miyanishi Mayuko、Abe Tsukasa、Hori Yuta、Shiota Yoshihito、Yoshizawa Kazunari
  • Journal Title: Inorganic Chemistry Volume: 58 Issue: 18 Pages: 12280-12288
  • DOI: 10.1021/acs.inorgchem.9b01752
  • Peer Reviewed
• [Journal Article] Local structures and electronic properties of In atoms in In-doped ZnO (2019)
  • Author(s): Hori Yuta、Shiota Yoshihito、Ida Tomonori、Yoshizawa Kazunari、Mizuno Motohiro
  • Journal Title: Thin Solid Films Volume: 685 Pages: 428-433
  • DOI: 10.1016/j.tsf.2019.05.047
  • Peer Reviewed
• [Journal Article] Dual Catalytic Cycle of H2 and H2O Oxidations by a Half-Sandwich Iridium Complex: A Theoretical Study (2019)
  • Author(s): Ikeda Kei、Hori Yuta、Mahyuddin Muhammad Haris、Shiota Yoshihito、Staykov Aleksandar、Matsumoto Takahiro、Yoshizawa Kazunari、Ogo Seiji
  • Journal Title: Inorganic Chemistry Volume: 58 Issue: 11 Pages: 7274-7284
  • DOI: 10.1021/acs.inorgchem.9b00307
  • Peer Reviewed
• [Journal Article] Methane selective oxidation to methanol by metal-exchanged zeolites: a review of active sites and their reactivity (2019)
  • Author(s): Mahyuddin Muhammad Haris、Shiota Yoshihito、Yoshizawa Kazunari
  • Journal Title: Catalysis Science & Technology Volume: 9 Issue: 8 Pages: 1744-1768
  • DOI: 10.1039/c8cy02414f
  • Peer Reviewed / Open Access
• [Journal Article] Mechanistic Insights into Methane Oxidation by Molecular Oxygen under Photoirradiation: Controlled Radical Chain Reactions (2019)
  • Author(s): Hori Yuta、Abe Tsukasa、Shiota Yoshihito、Yoshizawa Kazunari
  • Journal Title: Bulletin of the Chemical Society of Japan Volume: 92 Issue: 11 Pages: 1840-1846
  • DOI: 10.1246/bcsj.20190171
  • NAID: 130007745895
  • Peer Reviewed
• [Journal Article] High-Temperature Cooperative Spin Crossover Transitions and Single-Crystal Reflection Spectra of [FeIII(qsal)2](CH3OSO3) and Related Compounds (2019)
  • Author(s): Takahashi Kazuyuki、Yamamoto Kaoru、Yamamoto Takashi、Einaga Yasuaki、Shiota Yoshihito、Yoshizawa Kazunari、Mori Hatsumi
  • Journal Title: Crystals Volume: 9 Issue: 2 Pages: 81-81
  • DOI: 10.3390/cryst9020081
  • NAID: 120006599239
  • Peer Reviewed / Open Access
• [Journal Article] Visible light-driven cross-coupling reactions of alkyl halides with phenylacetylene derivatives for C(sp3)?C(sp) bond formation catalyzed by a B12 complex (2019)
  • Author(s): Chen Li、Kametani Yohei、Imamura Kenji、Abe Tsukasa、Shiota Yoshihito、Yoshizawa Kazunari、Hisaeda Yoshio、Shimakoshi Hisashi
  • Journal Title: Chemical Communications Volume: 55 Issue: 87 Pages: 13070-13073
  • DOI: 10.1039/c9cc06185a
  • Peer Reviewed
• [Journal Article] Redox behaviour of the β-dihydroporphycene cobalt complex: study on the effect of hydrogenation of the ligand (2019)
  • Author(s): Hashimoto Koichi, Koide Taro, Okawara Toru, Shimakoshi Hisashi, Hori Yuta, Shiota Yoshihito, Yoshizawa Kazunari, Hisaeda Yoshio
  • Journal Title: Dalton Transactions Volume: 48 Issue: 3 Pages: 872-881
  • DOI: 10.1039/c8dt03743d
  • Peer Reviewed
• [Journal Article] Fundamental electron-transfer and proton-coupled electron-transfer properties of Ru(iv)-oxo complexes (2019)
  • Author(s): Hiroaki Kotani, Hinatsu Shimomura, Momoka Horimoto, Tomoya Ishizuka, Yoshihito Shiota, Kazunari Yoshizawa, Sachiko Yanagisawa, Yuka Kawahara-Nakagawa, Minoru Kubo, Takahiko Kojima
  • Journal Title: Dalton Transactions Volume: 48 Issue: 35 Pages: 13154-13161
  • DOI: 10.1039/c9dt02734c
  • NAID: 120007133077
  • Peer Reviewed
• [Journal Article] An Azulene-Based Chiral Helicene and Its Air-Stable Cation Radical (2019)
  • Author(s): M. Narita, T. Teraoka, T. Murafuji, Y. Shiota, K. Yoshizawa, S. Mori, H. Uno, S. Kanegawa, O. Sato, K. Goto, F. Tani
  • Journal Title: Bull. Chem. Soc. Jpn. Volume: 92 Issue: 11 Pages: 1867-1873
  • DOI: 10.1246/bcsj.20190219
  • NAID: 130007745887
  • Peer Reviewed / Open Access
• [Journal Article] Importance of the Reactant-State Potentials of Chromium(V)?Oxo Complexes to Determine the Reactivity in Hydrogen-Atom Transfer Reactions (2018)
  • Author(s): Kotani Hiroaki、Kaida Suzue、Ishizuka Tomoya、Mieda Kaoru、Sakaguchi Miyuki、Ogura Takashi、Shiota Yoshihito、Yoshizawa Kazunari、Kojima Takahiko
  • Journal Title: Inorganic Chemistry Volume: 57 Issue: 21 Pages: 13929-13936
  • DOI: 10.1021/acs.inorgchem.8b02453
  • Peer Reviewed
• [Journal Article] Theoretical Overview of Methane Hydroxylation by Copper?Oxygen Species in Enzymatic and Zeolitic Catalysts (2018)
  • Author(s): Mahyuddin M. Haris、Shiota Yoshihito、Staykov Aleksandar、Yoshizawa Kazunari
  • Journal Title: Accounts of Chemical Research Volume: 51 Issue: 10 Pages: 2382-2390
  • DOI: 10.1021/acs.accounts.8b00236
  • Peer Reviewed
• [Journal Article] Dioxygen Activation on Cu-MOR Zeolite: Theoretical Insights into the Formation of Cu2O and Cu3O3 Active Species (2018)
  • Author(s): Mahyuddin M. Haris、Tanaka Takahiro、Staykov Aleksandar、Shiota Yoshihito、Yoshizawa Kazunari
  • Journal Title: Inorganic Chemistry Volume: 57 Issue: 16 Pages: 10146-10152
  • DOI: 10.1021/acs.inorgchem.8b01329
  • Peer Reviewed
• [Journal Article] Intermediate-Spin Iron(III) Complexes Having a Redox-Noninnocent Macrocyclic Tetraamido Ligand (2018)
  • Author(s): Kojima Takahiko、Ogishima Fumiya、Nishibu Takahisa、Kotani Hiroaki、Ishizuka Tomoya、Okajima Toshihiro、Nozawa Shunsuke、Shiota Yoshihito、Yoshizawa Kazunari、Ohtsu Hiroyoshi、Kawano Masaki、Shiga Takuya、Oshio Hiroki
  • Journal Title: Inorganic Chemistry Volume: NA Issue: 16 Pages: 9683-9695
  • DOI: 10.1021/acs.inorgchem.8b00037
  • Peer Reviewed / Open Access / Int'l Joint Research
• [Journal Article] Mechanistic Insights into Homogeneous Electrocatalytic and Photocatalytic Hydrogen Evolution Catalyzed by High-Spin Ni(II) Complexes with S2N2-Type Tetradentate Ligands (2018)
  • Author(s): Hong Dachao、Tsukakoshi Yuto、Kotani Hiroaki、Ishizuka Tomoya、Ohkubo Kei、Shiota Yoshihito、Yoshizawa Kazunari、Fukuzumi Shunichi、Kojima Takahiko
  • Journal Title: Inorganic Chemistry Volume: 57 Issue: 12 Pages: 7180-7190
  • DOI: 10.1021/acs.inorgchem.8b00881
  • Peer Reviewed / Int'l Joint Research
• [Journal Article] Ground-State Copper(III) Stabilized by N-Confused/N-Linked Corroles: Synthesis, Characterization, and Redox Reactivity (2018)
  • Author(s): Maurya Yogesh Kumar、Noda Katsuya、Yamasumi Kazuhisa、Mori Shigeki、Uchiyama Tomoki、Kamitani Kazutaka、Hirai Tomoyasu、Ninomiya Kakeru、Nishibori Maiko、Hori Yuta、Shiota Yoshihito、Yoshizawa Kazunari、Ishida Masatoshi、Furuta Hiroyuki
  • Journal Title: Journal of the American Chemical Society Volume: 140 Issue: 22 Pages: 6883-6892
  • DOI: 10.1021/jacs.8b01876
  • Peer Reviewed
• [Journal Article] Two Discrete RuCp* (Cp*=Pentamethylcyclopentadienyl) Binding Modes of N-Confused Porphyrins: Peripheral π Complex and Sitting Atop Ruthenocenophane Complex by Skeletal Transformation (2018)
  • Author(s): Yamamoto Takaaki、Mitsuno Koki、Mori Shigeki、Itoyama Shuhei、Shiota Yoshihito、Yoshizawa Kazunari、Ishida Masatoshi、Furuta Hiroyuki
  • Journal Title: Chemistry - A European Journal Volume: 24 Issue: 26 Pages: 6742-6746
  • DOI: 10.1002/chem.201801237
  • Peer Reviewed
• [Journal Article] Formation and Isolation of a Four-Electron-Reduced Porphyrin Derivative by Reduction of a Stable 20π Isophlorin (2018)
  • Author(s): 4.Wataru Suzuki, Hiroaki Kotani, Tomoya Ishizuka, Yoshihito Shiota, Kazunari Yoshiza, Takahiko Kojima
  • Journal Title: Angeandte Chemie International Edition Volume: 57 Issue: 7 Pages: 1973-1977
  • DOI: 10.1002/anie.201711058
  • NAID: 120007134423
  • Peer Reviewed
• [Journal Article] Methane Partial Oxidation over [Cu2(μ-O)]2+ and [Cu3(μ-O)3]2+ Active Species in Large-Pore Zeolites (2018)
  • Author(s): Mahyuddin M. Haris、Tanaka Takahiro、Shiota Yoshihito、Staykov Aleksandar、Yoshizawa Kazunari
  • Journal Title: ACS Catalysis Volume: 8 Issue: 2 Pages: 1500-1509
  • DOI: 10.1021/acscatal.7b03389
  • Peer Reviewed
• [Journal Article] Cobalt?Carbon Bond Formation Reaction via Ligand Reduction of Porphycene?Cobalt(II) Complex and Its Noninnocent Reactivity (2018)
  • Author(s): Koide Taro、Aritome Isao、Saeki Tatsuya、Morita Yoshitsugu、Shiota Yoshihito、Yoshizawa Kazunari、Shimakoshi Hisashi、Hisaeda Yoshio
  • Journal Title: ACS Omega Volume: 3 Issue: 4 Pages: 4027-4034
  • DOI: 10.1021/acsomega.8b00239
  • Peer Reviewed / Open Access
• [Journal Article] Trithiazolyl-1,3,5-triazines bearing decyloxybenzene moieties: synthesis, photophysical and electrochemical properties, as well as self-assembly behavior (2018)
  • Author(s): S.-i. Kato, S. Jin, T. Kimura, N. Yoshikawa, D. Nara, K. Imamura, Y. Shiota, K. Yoshizawa, R. Katoono, T. Yamanobe, H. Uehara, Y. Nakamura
  • Journal Title: Organic & Biomolecular Chemistry Volume: 16 Issue: 19 Pages: 3584-3595
  • DOI: 10.1039/c8ob00471d
  • Peer Reviewed
• [Journal Article] Anisotropic Change in Magnetic Susceptibility of a Dynamic Single Crystal of Cobalt(II) Complex (2017)
  • Author(s): Z.-S. Yao, S.-Q. Wu, Y. Kitagawa, S.-Q. Su, Y.-G. Huang, G.-L. Li, Z.-H. Ni, H. Nojiri, Y. Shiota, K. Yoshizawa, S. Kang, S. Kanegawa, O. Sato
  • Journal Title: Angew. Chem. Int. Ed. Volume: 56 Issue: 3 Pages: 717-721
  • DOI: 10.1002/anie.201606165
  • Peer Reviewed / Int'l Joint Research / Acknowledgement Compliant
• [Journal Article] Thermodynamics and Photodynamics of a Monoprotonated Porphyrin Directly Stabilized by Hydrogen Bonding with Polar Protic Solvents (2017)
  • Author(s): W. Suzuki, H. Kotani, T. Ishizuka, K. Ohkubo, Y. Shiota, K. Yoshizawa, S. Fukuzumi, T. Kojima
  • Journal Title: Chemistry-A European Journal Volume: 23 Issue: 19 Pages: 4669-4679
  • DOI: 10.1002/chem.201606012
  • Peer Reviewed / Int'l Joint Research
• [Journal Article] Photochemical Intramolecular C-H Addition of Dimesityl(hetero)arylboranes through a [1,6]-Sigmatropic Rearrangement (2017)
  • Author(s): Ando Naoki、Fukazawa Aiko、Kushida Tomokatsu、Shiota Yoshihito、Itoyama Shuhei、Yoshizawa Kazunari、Matsui Yasunori、Kuramoto Yutaro、Ikeda Hiroshi、Yamaguchi Shigehiro
  • Journal Title: Angew. Chem. Int. Ed. Volume: 56 Issue: 40 Pages: 12210-12214
  • DOI: 10.1002/anie.201706929
  • Peer Reviewed
• [Journal Article] Specific Enhancement of Catalytic Activity by a Dicopper Core: Selective Hydroxylation of Benzene to Phenol with Hydrogen Peroxide (2017)
  • Author(s): Tsuji Tomokazu、Zaoputra Antonius Andre、Hitomi Yutaka、Mieda Kaoru、Ogura Takashi、Shiota Yoshihito、Yoshizawa Kazunari、Sato Hiroyasu、Kodera Masahito
  • Journal Title: Angew. Chem. Int. Ed. Volume: 56 Issue: 27 Pages: 7779-7782
  • DOI: 10.1002/anie.201702291
  • Peer Reviewed / Int'l Joint Research
• [Journal Article] σ-CAM Mechanisms for the Hydrogenation of Alkenes by cis- and trans-Disilametallacyclic Carbonyl Complexes (M = Fe, Ru, Os): Experimental and Theoretical Studies (2017)
  • Author(s): K. Miyamoto, A. Tahara, Y. Sunada, H. Tutumi, R. Inoue, H. Tanaka, Y. Shiota, K. Yoshizawa, and H. Nagashima
  • Journal Title: Bull. Chem. Soc. Jpn. Volume: 99 Issue: 5 Pages: 613-626
  • DOI: 10.1246/bcsj.20170004
  • NAID: 130006770718
  • Peer Reviewed / Open Access / Acknowledgement Compliant
• [Journal Article] Isolation and phototransformation of enantiomerically pure iridium(iii) bis[(4,6-difluorophenyl)pyridinato-N,C2]picolinate (2017)
  • Author(s): Wang Yue、Harada Takunori、Shiota Yoshihito、Yoshizawa Kazunari、Wang Heng、Wang Sheng、Ye Xichong、Ogasawara Masamichi、Nakano Tamaki
  • Journal Title: RSC AdV Volume: 7 Issue: 47 Pages: 29550-29553
  • DOI: 10.1039/c7ra04141a
  • NAID: 120007141569
  • Peer Reviewed / Open Access / Int'l Joint Research
• [Journal Article] Photocatalytic alkene reduction by a B12-TiO2 hybrid catalyst coupled with C-F bond cleavage for gem-difluoroolefin synthesis (2017)
  • Author(s): Tian Hui、Shimakoshi Hisashi、Imamura Kenji、Shiota Yoshihito、Yoshizawa Kazunari、Hisaeda Yoshio
  • Journal Title: Chem. Commun. Volume: 53 Issue: 68 Pages: 9478-9481
  • DOI: 10.1039/c7cc04377e
  • Peer Reviewed
• [Journal Article] Catalytic C-H amination driven by intramolecular ligand-to-nitrene one-electron transfer through a rhodium(III) centre (2017)
  • Author(s): Daiki Fujita, Hideki Sugimoto, Yoshihito Shiota, Yuma Morimoto, Kazunari Yoshizawa, and Shinobu Itoh
  • Journal Title: Chem. Commun. Volume: 印刷中 Issue: 35 Pages: 4849-4852
  • DOI: 10.1039/c7cc01840a
  • Peer Reviewed / Acknowledgement Compliant
• [Journal Article] Formation of supramolecular hetero-triads by controlling the hydrogen bonding of conjugate bases with a diprotonated porphyrin based on electrostatic interaction (2017)
  • Author(s): Suzuki Wataru、Kotani Hiroaki、Ishizuka Tomoya、Shiota Yoshihito、Yoshizawa Kazunari、Kojima Takahiko
  • Journal Title: Chem. Commun. Volume: 53 Issue: 47 Pages: 6359-6362
  • DOI: 10.1039/c7cc03635c
  • NAID: 120007128973
  • Peer Reviewed
• [Journal Article] Synergy of Electrostatic and van der Waals Interactions in the Adhesion of Epoxy Resin with Carbon-Fiber and Glass Surfaces (2017)
  • Author(s): K. Yoshizawa, T. Semoto, S. Hitaoka, C. Higuchi, Y. Shiota, and H. Tanaka
  • Journal Title: Bulletin of the Chemical Society of Japan Volume: 90 Issue: 5 Pages: 500-505
  • DOI: 10.1246/bcsj.20160426
  • NAID: 130006770715
  • ISSN: 0009-2673, 1348-0634
  • Peer Reviewed / Acknowledgement Compliant
• [Journal Article] 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 (2017)
  • Author(s): Mahyuddin M. Haris、Staykov Aleksandar、Shiota Yoshihito、Miyanishi Mayuko、Yoshizawa Kazunari
  • Journal Title: ACS Catal. Volume: 7 Issue: 6 Pages: 3741-3751
  • DOI: 10.1021/acscatal.7b00588
  • Peer Reviewed / Int'l Joint Research
• [Journal Article] Theoretical Investigation of Methane Hydroxylation over Isoelectronic [FeO]2+- and [MnO]+-Exchanged Zeolites Activated by N2O (2017)
  • Author(s): Mahyuddin M. Haris、Shiota Yoshihito、Staykov Aleksandar、Yoshizawa Kazunari
  • Journal Title: Inorg. Chem. Volume: 56 Issue: 17 Pages: 10370-10380
  • DOI: 10.1021/acs.inorgchem.7b01284
  • Peer Reviewed / Int'l Joint Research
• [Journal Article] Efficient 1 H NMR chiral discrimination of sulfoxides caused by the dynamic nature of ( R , R )-3′,3″-biBINOL (2017)
  • Author(s): Kawanami Toshio、Ishizuka Kentaro、Furuno Hiroshi、Shiota Yoshihito、Yoshizawa Kazunari、Inanaga Junji
  • Journal Title: Tetrahedron Asymm Volume: 28 Issue: 11 Pages: 1587-1590
  • DOI: 10.1016/j.tetasy.2017.10.008
  • Peer Reviewed
• [Journal Article] Catalytic Performance of a Dicopper-Oxo Complex for Methane Hydroxylation (2017)
  • Author(s): Hori Yuta、Shiota Yoshihito、Tsuji Tomokazu、Kodera Masahito、Yoshizawa Kazunari
  • Journal Title: Inorg. Chem. Volume: 57 Issue: 1 Pages: 8-11
  • DOI: 10.1021/acs.inorgchem.7b02563
  • Peer Reviewed / Open Access
• [Journal Article] Acid-Base Properties of a Freebase Form of a Quadruply-Ring-Fused Porphyrin―Stepwise Protonation Induced by Rigid Ring-Fused Structure (2016)
  • Author(s): Y. Saegusa, T. Ishizuka, Y. Shiota, K. Yoshizawa, T. Kojima
  • Journal Title: The Journal of Organic Chemistry Volume: 82 Issue: 1 Pages: 322-330
  • DOI: 10.1021/acs.joc.6b02419
  • Peer Reviewed
• [Journal Article] An Azulene-Fused Tetracene Diimide with a Small HOMO-LUMO Gap (2016)
  • Author(s): T. Koide, M. Takesue, T. Murafuji, K. Satomi, Y. Suzuki, J. Kawamata, K. Terai, M. Suzuki, H. Yamada, Y. Shiota, K. Yoshizawa, and F. Tani
  • Journal Title: ChemPlusChem Volume: 2016 Issue: 7 Pages: 81-86
  • DOI: 10.1002/cplu.201600356
  • Peer Reviewed / Acknowledgement Compliant
• [Journal Article] Heterometallic FeIII/K coordination polymer with a wide thermal hysteretic spin transition around room temperature (2016)
  • Author(s): Kang, S.; Shiota, Y.; Kariyazaki, A.; Kanegawa, S.; Yoshizawa, K.; Sato, O.
  • Journal Title: Chem. Eur. J. Volume: 22 Issue: 2 Pages: 532-538
  • DOI: 10.1002/chem.201503392
  • Peer Reviewed
• [Journal Article] Homogeneous Photocatalytic Water Oxidation with a Dinuclear CoIII-Pyridylmethyl amine Complex (2016)
  • Author(s): T. Ishizuka, A. Watanabe, H. Kotani, D. Hong, K. Satonaka, T. Wada, Y. Shiota, K. Yoshizawa, K. Ohara, K. Yamaguchi, S. Kato, S. Fukuzumi, T. Kojima
  • Journal Title: Inorganic Chemistry Volume: 55 Issue: 3 Pages: 1154-1164
  • DOI: 10.1021/acs.inorgchem.5b02336
  • Peer Reviewed / Acknowledgement Compliant
• [Journal Article] A New Family of Anionic FeIII Spin Crossover Complexes Featuring a Weak-field N2O4 Coordination Octahedron (2016)
  • Author(s): Kazuyuki Takahashi, Kiko Kawamukai, Mitsunibu Okai, Tomoyuki Mochida, Takahiro Sakurai, Hitoshi Ohta, Takashi Yamamoto, Yasuaki Einaga, Yoshihito Shiota, Kazunari Yoshizawa
  • Journal Title: Chem. Eur. J. Volume: 22 Issue: 4 Pages: 1253-1257
  • DOI: 10.1002/chem.201504883
  • Peer Reviewed / Int'l Joint Research / Acknowledgement Compliant
• [Journal Article] Synthesis and Structure of a Water-soluble μ-η1:η1-N2 Dinuclear RuII Complex with a Polyamine Ligand (2016)
  • Author(s): K. Yoshimoto, T. Yatabe, T. Matsumoto, A. Robertson, H. Nakai, H. Tanaka, T. Kamachi, Y. Shiota, K. Yoshizawa, K. Asazawa, H. Tanaka, Seiji Ogo
  • Journal Title: Chemistry Letters Volume: 45 Issue: 2 Pages: 149-151
  • DOI: 10.1246/cl.151004
  • NAID: 130005124715
  • Peer Reviewed / Open Access
• [Journal Article] Possible Peroxo State of the Dicopper Site of Particulate Methane Monooxygenase from Combined Quantum Mechanics and Molecular Mechanics Calculations (2016)
  • Author(s): S. Itoyama, K. Doitomi, T. Kamachi, Y. Shiota, K. Yoshizawa
  • Journal Title: Inorganic Chemistry Volume: 55 Issue: 6 Pages: 2771-2775
  • DOI: 10.1021/acs.inorgchem.5b02603
  • Peer Reviewed
• [Journal Article] Formation and High Reactivity of the anti-Dioxo Form of High- Spin m-Oxodioxodiiron(IV) as the Active Species That Cleaves Strong C (2016)
  • Author(s): Masahito Kodera,* Shin Ishiga, Tomokazu Tsuji, Katsutoshi Sakurai, Yutaka Hitomi, Yoshihito Shiota, P. K. Sajith, Kazunari Yoshizawa, Kaoru Mieda, and Takashi Ogura
  • Journal Title: Chemistry A European Journal Volume: 17 Issue: 17 Pages: 1-14
  • DOI: 10.1002/chem.201600048
  • Peer Reviewed / Int'l Joint Research / Acknowledgement Compliant
• [Journal Article] 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 (2016)
  • Author(s): Yoshiki Fujita, Manabu Abe, Yoshihito Shiota, Tatsuya Suzuki, and Kazunari Yoshizawa
  • Journal Title: Bull. Chem. Soc. Jpn Volume: 89 Issue: 7 Pages: 770-778
  • DOI: 10.1246/bcsj.20160051
  • NAID: 130005253040
  • Peer Reviewed / Open Access / Int'l Joint Research / Acknowledgement Compliant
• [Journal Article] Superior Thermoelasticity and Shape-Memory Nanopores in a Porous Supramolecular Organic Framework (2016)
  • Author(s): Y.-G. Huang, Y. Shiota, M.-Y. Wu, S.-Q. Su, Z.-S. Yao, S. Kang, S. Kanegawa, G.-L. Li, S.-Q. Wu, T. Kamachi, K. Yoshizawa, M.-C. Hong, and Osamu Sato
  • Journal Title: Nature Commun. Volume: 7 Issue: 1 Pages: 11564-11571
  • DOI: 10.1038/ncomms11564
  • Peer Reviewed / Acknowledgement Compliant
• [Journal Article] 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 (2016)
  • Author(s): S. Murata, K. Takahashi, T. Sakurai, H. Ohta, T. Yamamoto, Y. Einaga, Y. Shiota, K. Yoshizawa
  • Journal Title: Crystals Volume: 6 Issue: 5 Pages: 49-64
  • DOI: 10.3390/cryst6050049
  • NAID: 120005756111
  • Peer Reviewed / Open Access / Acknowledgement Compliant
• [Journal Article] 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 (2016)
  • Author(s): H. Mitome, T. Ishizuka, H. Kotani, Y. Shiota, K. Yoshizawa, T. Kojima
  • Journal Title: JOURNAL OF THE AMERICAN CHEMICAL SOCIETY Volume: 138 Issue: 30 Pages: 9508-9520
  • DOI: 10.1021/jacs.6b03785
  • Peer Reviewed
• [Journal Article] Push-pull fluorenones and benzazulenequinones: unprecedented regioselective [4 + 2] and [2 + 2] cycloadditions of benzopentalenequinone derivative and alkynes bearing an aniline moiety (2016)
  • Author(s): S. Kato, T. Kijima, Y. Shiota, T. Yoshihara, S. Tobita, K. Yoshizawa, and Y. Nakamura
  • Journal Title: Tetrahedron Lett. Volume: 57 Issue: 41 Pages: 4604-4607
  • DOI: 10.1016/j.tetlet.2016.09.002
  • Peer Reviewed / Acknowledgement Compliant
• [Journal Article] A Ruthenium(III)-Oxyl Complex Bearing Strong Radical Character (2016)
  • Author(s): Y. Shimoyama, T. Ishizuka, H. Kotani, Y. Shiota, K. Yoshizawa, K. Mieda, T. Ogura, T. Okajima, S. Nozawa, T. Kojima
  • Journal Title: Angewandte Chemie International Edition Volume: 55 Issue: 45 Pages: 14041-14045
  • DOI: 10.1002/anie.201607861
  • Peer Reviewed
• [Journal Article] Directional Electron Transfer in Crystals of [CrCo] Dinuclear Complexes Achieved by Chirality-Assisted Preparative Method (2016)
  • Author(s): Shinji Kanegawa, Yoshihito Shiota, Soonchul Kang, Kazuyuki Takahashi, Hajime Okajima, Akira Sakamoto, Tatsuya Iwata, Hideki Kandori, Kazunari Yoshizawa, and Osamu Sato
  • Journal Title: J. Am. Chem. Soc. Volume: 138 Issue: 43 Pages: 14170-14173
  • DOI: 10.1021/jacs.6b05089
  • Peer Reviewed / Acknowledgement Compliant
• [Journal Article] Thermally Induced Intra-Carboxyl Proton Shuttle in a Molecular Rack-and-Pinion Cascade Achieving Macroscopic Crystal Deformation (2016)
  • Author(s): You-Gui Huang, Yoshihito Shiota, Sheng-Qun Su, Shu-Qi Wu, Zi-Shuo Yao, Guo-Ling Li, Shinji Kanegawa, Soonchul Kang, Takashi Kamachi, Kazunari Yoshizawa, Katsuhiko Ariga, Osamu Sato
  • Journal Title: Angew. Chem. Int. Ed. Volume: 55 Issue: 47 Pages: 14628-14632
  • DOI: 10.1002/anie.201607886
  • Peer Reviewed / Acknowledgement Compliant
• [Journal Article] 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? (2016)
  • Author(s): A. Tahara, H. Tanaka, Y. Sunada, Y. Shiota, K. Yoshizawa, and H. Nagashima
  • Journal Title: J. Org. Chem. Volume: 81 Issue: 22 Pages: 10900-10911
  • DOI: 10.1021/acs.joc.6b01961
  • Peer Reviewed / Int'l Joint Research / Acknowledgement Compliant
• [Journal Article] Direct Conversion of Methane to Methanol by Metal-Exchanged ZSM-5 Zeolite (Metal = Fe, Co, Ni, and Cu) (2016)
  • Author(s): M. H. Mahyuddin, A. Staykov, Y. Shiota, and K. Yoshizawa
  • Journal Title: ACS Catal. Volume: 6 Issue: 12 Pages: 8321-8331
  • DOI: 10.1021/acscatal.6b01721
  • Peer Reviewed / Acknowledgement Compliant
• [Presentation] C-H bond activation by dicopper-oxo species (2018)
  • Author(s): 塩田淑仁
  • Organizer: 生物無機化学国際シンポジウム
  • Int'l Joint Research / Invited
• [Presentation] 機能性錯体の量子化学計算 (2018)
  • Author(s): 塩田淑仁
  • Organizer: 基礎工学研究科附属未来研究推進センター研究会
  • Invited
• [Presentation] 金属オキソ種によるメタン活性化の理論的研究 (2018)
  • Author(s): 塩田淑仁
  • Organizer: 化学反応経路探索のニューフロンティア２０１８
  • Invited
• [Presentation] Theoretical Study of Methane Activation at the Dicopper Site of pMMO (2018)
  • Author(s): 塩田淑仁
  • Organizer: 錯体化学国際会議2018
  • Int'l Joint Research / Invited
• [Presentation] 銅２核錯体によるC-H結合活性化に関する理論的研究 (2018)
  • Author(s): 塩田 淑仁 堀 優太 吉澤 一成
  • Organizer: 日本化学会春季年会
• [Presentation] Theoretical Studies of the Catalytic Hydrogenation of Alkenes by a series of Disilametallacyclic iron and ruthenium Complexes (2017)
  • Author(s): TAHARA, Atsushi; TANAKA, Hiromasa; SUNADA, Yusuke; SHIOTA, Yoshihito; YOSHIZAWA, Kazunari; NAGASHIMA, Hideo
  • Organizer: 日本化学会第97春季年会2017
  • Place of Presentation: 慶応大学日吉キャンパス
  • Year and Date: 2017-03-16
• [Presentation] Co-C bond formation reaction via the ligand reduction of cobalt porphycene (2017)
  • Author(s): KOIDE, Taro; SAEKI, Tatsuya; MORITA, Yoshitsugu; SHIOTA, Yoshihito; YOSHIZAWA, Kazunari; SHIMAKOSHI, Hisashi; HISAEDA, Yoshio
  • Organizer: 日本化学会第97春季年会2017
  • Place of Presentation: 慶応大学日吉キャンパス
  • Year and Date: 2017-03-16
• [Presentation] Density Functional Theory calculations of alkane C-H bond activation by iron-oxo complexes bound by nitrogen-containing ligands (2017)
  • Author(s): MATSUI, Misaki; YUMURA, Takashi; WAKASUGI, Takashi; HITOMI, Yutaka; SHIOTA, Yoshihito; YOSHIZAWA, Kazunari
  • Organizer: 日本化学会第97春季年会2017
  • Place of Presentation: 慶応大学日吉キャンパス
  • Year and Date: 2017-03-16
• [Presentation] A Theoretical Study of the Catalytic Hydrogenation of Alkenes by Disilaruthenacyclic Complexes (2017)
  • Author(s): HOSHI, Konoka; TAHARA, Atsushi; SUNADA, Yusuke; TANAKA, Hiromasa; SHIOTA, Yoshihito; YOSHIZAWA, Kazunari; NAGASHIMA, Hideo
  • Organizer: 日本化学会第97春季年会2017
  • Place of Presentation: 慶応大学日吉キャンパス
  • Year and Date: 2017-03-16
• [Presentation] Theoretical study on absorption wavelength control and improvement of light fastness of β-carotene using solid acid. (2017)
  • Author(s): HIROSAWA, Nobuyuki; SHIOTA, Yoshihito; KOHNO, Yoshiumi; ASABA, Ryuma; YOSHIZAWA, Kazunari
  • Organizer: 日本化学会第97春季年会2017
  • Place of Presentation: 慶応大学日吉キャンパス
  • Year and Date: 2017-03-16
• [Presentation] Thermodynamics and photodynamics of a monoprotonated porphyrin directly stabilized by hydrogen bonding (2017)
  • Author(s): SUZUKI, Wataru; KOTANI, Hiroaki; ISHIZUKA, Tomoya; OHKUBO, Kei; SHIOTA, Yoshihito; YOSHIZAWA, Kazunari; FUKUZUMI, Shunichi; KOJIMA, Takahiko
  • Organizer: 日本化学会第97春季年会2017
  • Place of Presentation: 慶応大学日吉キャンパス
  • Year and Date: 2017-03-16
• [Presentation] 触媒反応は計算化学でどこまで明らかにできるのか？ (2017)
  • Author(s): 塩田淑仁
  • Organizer: 第120回触媒討論会
  • Invited
• [Presentation] 膜結合型メタンモノオキシゲナーゼの反応活性種に関する理論的研究 (2016)
  • Author(s): 糸山修平・土井富一城・蒲池高志・塩田淑仁・吉澤一成
  • Organizer: 触媒討論会2016
  • Place of Presentation: 岩手大学
  • Year and Date: 2016-09-21
• [Presentation] 窒素含有鉄オキソ錯体を触媒とするメタンC-H結合活性化に関する速度論的同位体効果 (2016)
  • Author(s): 松井 美咲,湯村 尚史,若杉 隆,人見 穣,塩田 淑仁,吉澤 一成
  • Organizer: 分子科学討論会2016
  • Place of Presentation: 神戸ファッションマート
  • Year and Date: 2016-09-13
• [Presentation] 新奇アニオン性スピンクロスオーバー錯体のπ拡張誘導体の構造と物性 (2016)
  • Author(s): 村田 優,高橋 一志,櫻井 敬博,太田 仁,山本 崇史,栄長 泰明,塩田 淑仁,吉澤 一成
  • Organizer: 分子科学討論会2016
  • Place of Presentation: 神戸ファッションマート
  • Year and Date: 2016-09-13
• [Book] 高機能性金属錯体が拓く触媒科学 (2020)
  • Author(s): 日本化学会
  • Total Pages: 200
  • Publisher: 化学同人
  • ISBN: 9784759813975
• [Remarks] 研究室HP
  • URL: http://trout.scc.kyushu-u.ac.jp/yoshizawaJ/publications.html
• [Remarks] 業績リスト
  • URL: http://trout.scc.kyushu-u.ac.jp/yoshizawaJ/files/pub.pdf
• [Remarks] Scopus
  • URL: https://www.scopus.com/authid/detail.uri?origin=resultslist&authorId=7005590954
• [Remarks] ORCID
  • URL: http://orcid.org/0000-0003-2054-9845
• [Remarks] 研究業績
  • URL: http://trout.scc.kyushu-u.ac.jp/yoshizawaJ/pagesJ/publicationsJ.html