Grant-in-Aid for Scientific Research on Innovative AreasPrecise Formation of a Catalyst Having a Specified Field for Use in Extremely Difficult Substrate Conversion Reactions

Seiji Mori » Japanese

Affiliation College of Science, Ibaraki University
Position Professor
HP http://smori.sci.ibaraki.ac.jp/index-e.htm
Speciality Theoretical and computational chemistry, reaction mechanisms
Keyword Metal catalyst, density functional calculations, QM/MM calculations
Institute Chemical Society of Japan, American Chemical Society, Japan Society of Synthetic Organic Chemistry, Japan Society for Molecular Science

Abstract

Theoretical design of Extremely Difficult and Selective Substrate Conversion Reactions

Achievement

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Original papers

  • "Enantiocontrol by Assembled Attractive Interactions in Copper-catalyzed Asymmetric Direct Alkynylation of a-Ketoesters with Terminal Alkynes: OH···O/sp3-CH···O Two-point Hydrogen-bonding Combined with Dispersive Attractions"
    Schwarzer, M. C.; Fujioka, A.; Ishii, T.; Ohmiya, H.; *Mori, S.; *Sawamura, M.
    Chemical Science, 2018, in press, in press
  • "Characterization of the one-electron oxidized Cu(II)-salen complexes with a side chain aromatic ring: the effect of the indole ring on the Cu(II)-phenoxyl radical species
    "
    Hiromi Oshita, Takayoshi Yoshimura, Seiji Mori, Fumito Tani, Yuichi Shimazaki, Osamu Yamauchi
    Journal of Biological Inorganic Chemistry, 2018, 23(1), 51-59
  • "Combined Theoretical and Experimental Studies of Nickel-Catalyzed Cross-Coupling of Methoxyarenes with Arylboronic Esters via C–O Bond Cleavage"
    Martin C Schwarzer, Ryosuke Konno, Takayuki Hojo, Akimichi Ohtsuki, Keisuke Nakamura, Ayaka Yasutome, Hiroaki Takahashi, Toshiaki Shimasaki, Mamoru Tobisu, Naoto Chatani, Seiji Mori
    Journal of the American Chemical Society, 2017, 139, 10347–10358
  • "Characterization of Group 10‐Metal‐p‐Substituted Phenoxyl Radical Complexes with Schiff Base Ligands"
    Hiromi Oshita, Misa Kikuchi, Kaoru Mieda, Takashi Ogura, Takayoshi Yoshimura, Fumito Tani, Tatsuo Yajima, Hitoshi Abe, Seiji Mori, Yuichi Shimazaki
    ChemistrySelect, 2017, 2(31), 10221-10231
  • "Asymmetric Synthesis of β-Lactams through Copper-Catalyzed Alkyne–Nitrone Coupling with Prolinol-Phosphine Chiral Ligand"
    Takayama, Y.; Ishii, T.; Ohmiya, H.; Iwai, T.; Schwarzer, M. C.; Mori, S.; Taniguchi, T.; Monde, K.; Sawamura, M.
    Chemistry - A European Journal, 2017, in press, in press
  • "Exploring the full catalytic cycle of rhodium(I)–BINAP-catalysed isomerisation of allylic amines: a graph theory approach for path optimisation"
    Yoshimura, T.; Maeda, S.; Taketsugu, T.; Sawamura, M.; Morokuma, K.; Mori, S.
    Chemical Science, 2017, in press, in press
  • "Exploring Full Catalytic Cycle of Rhodium(I)-BINAP Catalyzed Isomerisation of Allylic Amines: A Graph Theoretical Approach of Path Optimisation"
    Yoshimura, T.; Maeda, S.; Taketsugu, T.; Sawamura, M.; Morokuma, K.; Mori, S.
    Chem. Sci., 2017, 8(6), 4475-4488
  • "Copper-Catalyzed γ-Selective and Stereospecific Allylic Cross-Coupling with Secondary Alkylboranes"
    Yasuda, Y.; Nagao, K.; Shido, Y.; Mori, S.; Ohmiya, H.; Sawamura, M.
    Chemistry - A European Journal, 2015, 21(27), 9666–9670

Conference

  • eighth edition of Asia-Pacific Conference of Theoretical and Computational Chemistry
    "Mechanistic Insights Into Transition-Metal Catalyzed Molecular Activation Reactions", Invited Lecture
    Mori, S.
    12/15/2017~12/17/2017, Mumbai, India
  • 11th European Conference on Theoretical and Computational Chemistry
    "Experimental and computational investigations on the enantioselective alkynylation of α-ketoesters via copper catalysis", Poster Presentation
    Schwarzer, M. C.; Ishii, T.; Fujioka, A.; Ohmiya, H.; Sawamura, M.; Mori, S.
    9/4/2017~9/7/2017, Barcelona, Spain
  • 11th Triennial Congress of the World Association of Theoretical and Computational Chemists
    "Graph theory approach in exploration of reaction path networks: Rh(I)BINAP-catalyzed isomerization of allylic amine", Oral Presentation
    Yoshimura, T.; Maeda, S.; Taketsugu, T.; Sawamura, M.; Morokuma, K.; Mori, S.
    8/27/2017~9/1/2017, Munich, Germany
  • 11th Triennial Congress of the World Association of Theoretical and Computational Chemists
    "Experimental and computational investigations on the enantioselective alkynylation of α-ketoesters via copper catalysis", Poster Presentation
    Martin Christoph Schwarzer, Takaoki Ishii, Akane Fujioka, Hirohisa Ohmiya, Masaya Sawamura, Seiji Mori
    8/27/2017~9/1/2017, Munich, Germany
  • Big Data in Chemistry – 53rd Symposium on Theoretical Chemistry
    "Theoretical Study of Nickel-Catalyzed Cross-Coupling of Methoxyarenes with Arylboronic Esters via C-O Bond Cleavage", Poster Presentation
    Martin C Schwarzer, Ryosuke Konno, Takayuki Hojo, Akimichi Ohtsuki, Keisuke Nakamura, Ayaka Yasutome, Hiroaki Takahashi, Toshiaki Shimasaki, Mamoru Tobisu, Naoto Chatani, and Seiji Mori
    8/21/2017~8/25/2017, Basel, Switzerland
  • 6th Georgian Bay International Conference on Bioinorganic Chemistry
    "Computational Studies of Biosyntheses of Prostaglandins and Related Signaling Compounds", Invited Lecture
    Mori, S.
    5/23/2017~5/27/2017, Parry Sound, Canada
  • Fifth Modeling of Chemical and Biological (Re)activity
    "Theoretical Studies of Molecular Activation Reactions -Mechanistic Insights and Rational Design of Catalysis-", Invited Lecture
    Mori, S.
    2/18/2017~2/21/2017, Chennai, India
  • 10th International Conference on Computational Physics
    "Mechanistic Insights into Molecular Activation Reactions Based on Computational Chemistry", Invited Lecture
    Mori, S.
    1/16/2017~1/20/2017, Macau, China
  • Thai-Japan Symposium in Chemistry
    "Theoretical Insights into Molecular Activation Reactions", Invited Lecture
    Mori, S.
    11/15/2016~11/15/2016, Chiang Mai, Thailand
  • International Symposium on C-O Bond Activation
    "Theoretical Study of Nickel-Catalyzed Cross-Coupling of Methoxyarenes with Arylboronic Esters via C-O Bond Cleavage", Poster Presentation
    Schwarzer, M. C.; Konno, R.; Takahashi, H.; Tobisu, M.; Chatani, N.; Mori, S.
    10/25/2016~10/27/2016, Himeji, Japan
  • International Symposium on C-O Bond Activation
    "Theoretical Studies on Palladium-Catalyzed exo-Selective Cyanoesterification of Methyl Cyanoformate onto Norbornene", Invited Lecture
    Ishitsuka, T,; Okuda, Y.; Szilagyi, R. K.; Nishihara, Y.; Mori, S.
    10/25/2016~10/27/2016, Himeji, Japan
  • 10th congress on Electronic Structure: Principles and Applications
    "Theoretical Study on Ni(0)-Catalyzed Cross-Coupling of Methoxyarenes with Arylboronic Esters via C-O Bond Activation", Poster Presentation
    Mori, S.; Konno, R.; Schwarzer, M. C.; Takahashi, H.; Tobisu, M.; Chatani, N.
    6/28/2016~7/1/2016, Castellón de la Plana, Spain
  • 8th International Kasetsart University Science and Technology Annual Research Symposium
    "Introduction of Quantum Beam Science and Applications to Chemistry and Related Sciences", Invited Lecture
    Mori, S.
    6/2/2016~6/3/2016, Bangkok, Thailand
  • 17th International Symposium on Relations between Homogeneous and Heterogeneous Catalysis
    "Hydrogen Bonding with a Nonpolar sp3-C–H Bond in Enantioselective Cooperative Copper Catalysis", Invited Lecture
    Sawamura, M.; Ishii, T.; Watanabe, R.; Mori, S.; Moriya, T.; Ohmiya, H.
    7/12/2015~7/15/2015, Utrecht, Netherlands

National Conference

  • 第43回反応と合成の進歩シンポジウム
    "不斉配位子複合型ニトロキシルラジカル/銅協働触媒を用いるラセミ第2級アルコール の酸化的速度論的光学分割", ポスター発表
    *笹野裕介,小暮直貴,笠畑洸希,西山智弘,川島恭平,森聖治,岩渕好治
    11/6/2017~11/7/2017, 富山市
  • 第47回複素環化学討論会
    "銅触媒不斉アルキンーニトロンカップリングによるβ-ラクタムの不斉合成", 口頭発表
    今井洸児・高山ゆりえ・石井孝興・大宮寛久・岩井智弘・Schwarzer Martin・佐藤丈弘・森聖治・澤村正也
    10/17/2017~10/19/2017, 高知市
  • 錯体化学会第67回討論会
    "Theoretical Studies on Pd-Catalyzed Enantioselective Direct Allylation of 2-Alkylpyridines at the Side Chain α-Position", ポスター発表
    Kawashima, K.; Murakami, Ryo.; Sano, K.; Iwai, T.; Sawamura, M.; Mori, S.
    9/16/2017~9/18/2017, 札幌市
  • 錯体化学会 第67回討論会
    "Theoretical Investigation of Enantioselective 1,4-addition using Rhodium Catalysts with Planar-Chiral Phosphine-Olefin Ligands", ポスター発表
    Takehiro SATO, Ken KAMIKAWA, Masamichi OGASAWARA, Seiji MORI
    9/16/2017~9/18/2017, 札幌