J-GLOBAL         Last updated: Aug 9, 2018 at 18:14
Kumamoto University
Job title
Associate Professor

Research Areas


Academic & Professional Experience

 Lecturer,Faculty of Engineering,Kumamoto University
 Associate Professor,
 Associate Professor, ,Graduate School of Science and Technology(Engineering group),Kumamoto University


Apr 1990
Mar 1993
Department of Synthetic Chemistry, Graduate School of Engineering, Kyoto University
Graduate School, Division of Engineering, Kyoto University
Apr 1988
Mar 1990
Department of Molecular Engineering, Graduate School of Engineering, Kyoto University
Apr 1984
Mar 1988
Department of Hydrocarbon Chemistry, Faculty of Engineering, Kyoto University

Published Papers

Tomoki Ogoshi, Tomoki Ogoshi, Tomoki Ogoshi, Hiromu Tsuchida, Takahiro Kakuta, Tada Aki Yamagishi, Ai Taema, Toshikazu Ono, Toshikazu Ono, Manabu Sugimoto, Motohiro Mizuno
Advanced Functional Materials   28    Apr 2018   [Refereed]
© 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim Polymer-based room-temperature-phosphorescent (RTP) materials are attractive alternatives to low-molecular-weight organic RTP compounds because they can form self-standing transparent films with ...
W. W. Wang, W. W. Wang, J. S. Dang, J. S. Dang, R. Jono, H. Segawa, M. Sugimoto
Chemical Science   9 3341-3353   Jan 2018   [Refereed]
© 2018 The Royal Society of Chemistry. We herein report that surface modification of metal halide perovskites using graphene would be beneficial to improving the energy conversion efficiencies of perovskite solar cells. The present first-principle...
Tanaka Naoki, Shoji Yoshiaki, Hashizume Daisuke, Sugimoto Manabu, Fukushima Takanori
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION   56(19) 5312-5316   May 2017   [Refereed]
Atsuro Takai, Dylan J. Freas, Toshikane Suzuki, Toshikane Suzuki, Manabu Sugimoto, Jan Labuta, Rie Haruki, Reiji Kumai, Shin Ichi Adachi, Hayato Sakai, Taku Hasobe, Yoshitaka Matsushita, Masayuki Takeuchi, Masayuki Takeuchi
Organic Chemistry Frontiers   4 650-657   May 2017
© 2017 the Partner Organisations. We synthesized methyl-substituted 9,9′-bifluorenylidene (9,9′-BF) derivatives in which two planar fluorene units are connected through a CC double bond. The CC double bond is twisted owing to the steric crowding b...
Chunhui Zhao, Tsuneaki Sakurai, Satoru Yoneda, Shu Seki, Manabu Sugimoto, Choji Oki, Masayuki Takeuchi, Kazunori Sugiyasu
Chemistry - An Asian Journal   11 2218   Aug 2016
Zhao Chunhui, Sakurai Tsuneaki, Yoneda Satoru, Seki Shu, Sugimoto Manabu, Oki Choji, Takeuchi Masayuki, Sugiyasu Kazunori
CHEMISTRY-AN ASIAN JOURNAL   11(16) 2284-2290   Aug 2016   [Refereed]
34(4) 112   2016   [Refereed]
M. Sugimoto, T. Inoue
Journal of Computer Chemistry, Japan   15 238-240   2016   [Refereed]
Toshikazu Ono, Manabu Sugimoto, Yoshio Hisaeda
Journal of the American Chemical Society   137 9519-9522   Aug 2015
© 2015 American Chemical Society. Simple yet ubiquitous multimolecular assembly systems with color-tunable emissions are realized by cooperative electron donor-acceptor interactions, such as the boron-nitrogen (B-N) dative bond as a Lewis acid-bas...
Kohei Takami, Ryo Ohtani, Masaaki Nakamura, Takayuki Kurogi, Manabu Sugimoto, Manabu Sugimoto, Leonard F. Lindoy, Shinya Hayami, Shinya Hayami
Dalton Transactions   44 18354-18359   Jan 2015
© The Royal Society of Chemistry. The hetero-metal complexes [CoII(Fctpy)2]X2 (Fctpy = 4′-ferrocenyl-2,2′;6′2′′-terpyridine, X = PF6 (1), BF4 (2), ClO4 (3), BPh4 (4)) were prepared and their structures and properties were investigated by single cr...
Sugimoto Manabu, Ideo Toshihiro, Iwane Ryo
Ippei Takashima, Anna Kanegae, Manabu Sugimoto, Akio Ojida
Inorganic Chemistry   53 7080-7082   Jul 2014
In this Communication, we report on the development of a ratiometric fluorescent probe for silver(I) ions (AgI) based on an arene-metal ion interaction. The probe selectively senses AgI among various metal ions with a large-emission red shift unde...
Ippei Takashima, Miyuki Kinoshita, Ryosuke Kawagoe, Saika Nakagawa, Manabu Sugimoto, Itaru Hamachi, Akio Ojida
Chemistry - A European Journal   20 2184-2192   Feb 2014
Non-coordinative interactions between a metal ion and the aromatic ring of a fluorophore can act as a versatile sensing mechanism for the detection of metal ions with a large emission change of fluorophores. We report the design of fluorescent pro...
Masato Kurihara, Masato Kurihara, Akira Hirooka, Shoko Kume, Manabu Sugimoto, Hiroshi Nishihara
Journal of the American Chemical Society   124(30) 8800-8801   Jul 2002
A new reversible isomerization cycle for meta-ferrocenylazobenzene accomplished by combination of a single green light (546 nm) and redox change between Fe(II) and Fe(III) was discovered. In the Fe(II) state, trans-to-cis isomerization proceeded u...
Manabu Sugimoto, Shigeyoshi Sakaki, Kei Sakanoue, Kei Sakanoue, Marshall D. Newton
Journal of Applied Physics   90(12) 6092-6097   Dec 2001
Fluorescence of fac-AlQ3(Q=8-quinolinolato), mer-AlQ3, mer-Al(mQ)3(mQ=4-methyl-8-quinolinolato), and BeQ2were investigated with electronic structure calculations. The molecular structure of the first singlet excited state (the emission state) was ...
Shigeyoshi Sakaki, Shigeyoshi Sakaki, Saori Yamaguchi, Yasuo Musashi, Manabu Sugimoto
Journal of Organometallic Chemistry   635(1/2) 173-186   Oct 2001
M2(EH2)2(P2)2(M=Pd or Pt; E=Si or Ge; P2=(PH3)2or diphosphinoethane (H2PCH2CH2PH2; dipe)) was theoretically investigated with the DFT method. Natural bond orbital (nbo) analysis and the laplacian of electron density indicate that Pt2(SiH2)2(P2)2an...
Manabu Sugimoto, Masaharu Anzai, Kei Sakanoue, Kei Sakanoue, Shigeyoshi Sakaki
Applied Physics Letters   79(15) 2348-2350   Oct 2001
Substituent dependence of a fluorescence energy of the 8-quinolinolato anion (Q-) was systematically investigated with electronic structure calculations. Large red- and blueshifts of the fluorescence were predicted for Q-with the NO2and CN groups,...
Shigeyoshi Sakaki, Shigeyoshi Sakaki, Tatsunori Takayama, Tatsunori Takayama, Manabu Sugimoto, Manabu Sugimoto
Organometallics   20(18) 3896-3905   Sep 2001
Platinum(II) hydride silanone complexes [PtH(dipe)(R2SiO)]+ (R = H, F, CH3, CF3, or SiH3; dipe = H2PCH2CH2PH2), their acetone and ethylene analogues, and cyclic trimers of silanone, (R2SiO)3, were theoretically investigated with the DFT method. Un...
Shigeyoshi Sakaki, Tetsuro Ohki, Tatsunori Takayama, Manabu Sugimoto, Teruyuki Kondo, Take Aki Mitsudo
Organometallics   20(14) 3145-3158   Jul 2001
Coupling reactions of formaldehyde with RuBr(η3-C3H5)(CO)3(R1), [Ru(η3-C3H5)(HCHO) (CO)3]+(I2), and RuBr(η3-C3H5)(HCHO)(CO)2(I3) were theoretically investigated with ab initio MP2-MP4(SDQ), CCSD(T), and DFT(B3LYP) methods. In R1, the coupling reac...
Shigeyoshi Sakaki, Tatsunori Takayama, Manabu Sugimoto
Chemistry Letters   (12) 1222-1223   Jan 2001
DFT calculations clearly show that a zirconocene-ethylene complex, Cp2Zr(C2H4), easily reacts with hydrosilane, SiH4, to afford either Cp2Zr(H)(C2H4SiH3) or Cp2Zr(SiH3)(C2H5). In the transition state, the Si-H anti-bonding σ*-orbital of SiH4overla...
K. Sakanoue, M. Motoda, M. Sugimoto, S. Sakaki
Molecular Crystals and Liquid Crystals Science and Technology Section B: Nonlinear Optics   26 271-271   Dec 2000
Molecular geometry and hole transport property of N,N,N',N'-tetraphenyl-1,1'-biphenyl-4,4'-diamine (8) and its analogues were theoretically investigated with the AM1 MO method. A reorganization energy (λ) in hole transport reaction evaluated here ...
Shigeyoshi Sakaki, Bishajit Biswas, Yasuo Musashi, Manabu Sugimoto
Journal of Organometallic Chemistry   611 288-298   Oct 2000
The B-C bond in (HO)2B-CH3is stronger than the C-C bond in ethane, because a hyperconjugation interaction is formed between boryl pπorbital and C-H bonding orbital of CH3. The M-B(OH)2bond (M = Pd or Pt) is also stronger than the M-CH3bond, becaus...
Bishajit Biswas, Manabu Sugimoto, Shigeyoshi Sakaki
Organometallics   19 3895-3908   Sep 2000
The C-H bond activations of benzene and methane are theoretically investigated with the density functional theory (DFT). The bond activation of benzene takes place with reaction energies where the reaction is exothermic. The formate ligands assist...
S. Sakaki, N. Mizoe, M. Sugimoto, Y. Musashi
Coordination Chemistry Reviews   192 933-960   Dec 1999
All the elementary steps involved in platinum(0)-catalyzed hydrosilylation of ethylene were theoretically investigated in detail with ab initio MO/MP2-MP4(SDQ) and CCD methods. Several important results are summarized as follows: (1) the Si-H oxid...
Shigeyoshi Sakaki, Satoru Kai, Manabu Sugimoto
Organometallics   18 4825-4837   Nov 1999
Oxidative addition of (HO)2B-XH3to M(PH3)2(X = C, Si, Ge, or Sn; M = Pd or Pt) was theoretically investigated with MP2-MP4(SDQ) and CCSD(T) methods. (HO)2B-XH3easily undergoes oxidative addition to Pt(PH3)2with a moderate activation energy for X =...
Bishajit Biswas, Manabu Sugimoto, Shigeyoshi Sakaki
Organometallics   18 4015-4026   Sep 1999
The structure and bonding nature of Pd(XH3)(η3-C3H5)(PH3) (R-X; X = C, Si, Ge, Sn) and its C-X reductive elimination were investigated with MP2-MP4(SDQ) and CCSD(T) methods. The C-C reductive elimination is considerably exothermic (27.7 kcal/mol) ...
Kei Sakanoue, Kei Sakanoue, Midori Motoda, Manabu Sugimoto, Shigeyoshi Sakaki
Journal of Physical Chemistry A   103(28) 5551-5556   Jul 1999
Reorganization energy (λ1) in the ionization process of organic amines and that (λ2) of the electron attaching process of amine cation radicals are evaluated with AMI, ab initio MO, and DFT methods, where dimethylaniline, methyldiphenylamine, and ...
Shigeyoshi Sakaki, Nobuteru Mizoe, Yasuo Musashi, Manabu Sugimoto
Journal of Molecular Structure: THEOCHEM   461/462 533-546   Apr 1999
Pt(PH3)2-catalyzed hydrosilylation of ethylene involving cis-trans isomerization of PtH(SiH3)(PH3)2was theoretically investigated with ab initio MO/MP2-MP4SDQ and CCD methods. The cis-trans isomerization via Berry's pseudo-rotation mechanism occur...
Manabu Sugimoto, Ichiro Yamasaki, Nobuteru Mizoe, Masaharu Anzai, Shigeyoshi Sakaki
Theoretical Chemistry Accounts   102(1/6) 377-384   Jan 1999
Acetylene insertion into Pt(II) - H and Pt(II) - SiH3bonds of PtH(SiH3)(PH3) was investigated using ab initio molecular orbital and Møller-Plesset perturbation theory methods. The insertion into Pt - H was predicted to proceed with a smaller activ...
Shigeyoshi Sakaki, Nobuteru Mizoe, Yasuo Musashi, Bishajit Biswas, Manabu Sugimoto
Journal of Physical Chemistry A   102 8027-8036   Oct 1998
A theoretical study of oxidative additions of H-CH3, CH3-CH3, H-SiR3, and SiR3-CH3 (R=H, Cl, or Me) to Pt(PH3)2 was carried out with ab initio MO/MP2-MP4SDQ, CCD, and CCSD methods. The oxidative addition reactions of C-H and Si-H σ-bonds occur thr...
Shigeyoshi Sakaki, Nobuteru Mizoe, Manabu Sugimoto
Organometallics   17(12) 2510-2523   Jun 1998
A detailed theoretical investigation was performed on all of the transition states and intermediates involved in the Si-H oxidative addition of H-SiR3(R = H, Cl, or Me) to Pt-(PH3)2, ethylene insertion into Pt-H and Pt-SiR3bonds, isomerization of ...
Shigeyoshi Sakaki, Bishajit Biswas, Manabu Sugimoto
Organometallics   17(7) 1278-1289   Mar 1998
The sp3C - H activation of CH3CN and CH2(CN)2by palladium(0) complexes was theoretically investigated with the ab initio MO/MP4 method. Although introduction of an electron-withdrawing CN group lowers the activation energy (Ea) and decreases the e...
Manabu Sugimoto, Fumiko Horiuchi, Shigeyoshi Sakaki
Chemical Physics Letters   274 543-548   Aug 1997
The metal-metal bond of [Pt2Cl2(CO)4] and [Pt2Cl4(CO)2]2-is investigated with the ab initio MO/MP2 method. The PtI-PtIbond energy (ΔE) is calculated to be 39-58 kcal/mol, being much larger than those for Pt0-Pt0and PtII-PtIIreported previously. In...
Shigeyoshi Sakaki, Bishajit Biswas, Manabu Sugimoto
Journal of the Chemical Society - Dalton Transactions   803-809   Mar 1997
All the reactants, transition states and products of the oxidative addition of a C-H σ bond to M(PH3)2 (M = Pd or Pt) were optimized at the second-order Møller-Plesset perturbation (MP2) level and the energy changes in the reaction were evaluated ...
Takuji Higashioji, Masahiko Hada, Manabu Sugimoto, Hiroshi Nakatsuji, Hiroshi Nakatsuji
Chemical Physics   203(2) 159-175   Feb 1996
We investigate the basis set dependence and the gauge origin dependence in the calculations of Se and Cd nuclear magnetic shielding constants of several selenium and cadmium compounds. We improve the basis set systematically by adding the first-or...
H. Nakatsuji, M. hada, T. Tejima, T. Nakajima, M. Sugimoto
Chemical Physics Letters   249(3/4) 284-289   Jan 1996
The27Al NMR chemical shifts of the compounds A1X4−(X = H, F, Cl, Br and I) are studied theoretically by the ab initio UHF/finite perturbation (FP) method including a previously propsed spin-orbit (SO) interaction. When the SO interaction is includ...
Shinji Tanaka, Manabu Sugimoto, Hajime Takashima, Masahiko Hada, Hiroshi Nakatsuji, Hiroshi Nakatsuji
Bulletin of the Chemical Society of Japan   69(4) 953-959   Jan 1996
The129Xe chemical shifts of the complexes XeF2n, XeF2n-1+and XeOnF6-2n(n=1-3) are studied theoretically by ab initio finite perturbation method. The first-order higher basis functions, (FOBFs) are added to the standard basis set for removing the g...
Shigeyoshi Sakaki, Yuka Ujino, Manabu Sugimoto
Bulletin of the Chemical Society of Japan   69(11) 3047-3057   Jan 1996
The Si-H Oxidative Addition to [MCl(CO) (PH3)2] (M = Rh or Ir) was theoretically investigated with ab initio MO/MP2-MP4, SD-Cl, and CCD (coupled cluster with double substitutions) methods. This reaction proceeds with a somewhat high activation ene...
Manabu Sugimoto, Hiroshi Nakatsuji
The Journal of Chemical Physics   102(1) 285-293   Jan 1995
The use of augmented basis sets of the form, {X, rtX, rtruX, ...} (rt, ru=x, y, z), is proposed for calculating magnetic properties which are almost gauge-origin independent. It is derived from Epstein's theorem which states the sufficient conditi...
Manabu Sugimoto, Mamoru Kanayama, Hiroshi Nakatsuji
Journal of Physical Chemistry   97(22) 5868-5874   Jan 1993
Ga NMR chemical shifts of tetrahalogenogallates, GaCl4-nBrn-(n = 0-4), are calculated with the Hartree-Fock/finite perturbation method. For the Ga chemical shift, the diamagnetic contribution σdiais dominant and the paramagnetic contribution oσpar...
Manabu Sugimoto, Mamoru Kanayama, Hiroshi Nakatsuji
Journal of Physical Chemistry   96(11) 4375-4381   Jan 1992
93Nb chemical shifts in 19 niobium complexes, NbX6-nYn-(n = 0-6; X, Y = F, Cl, and Br), are calculated by the ab initio Hartree-Fock method. The calculated values are in very good agreement with the experimental ones. Theoretical analyses reveal t...
H. Nakatsuji, M. Sugimoto, S. Saito
Inorganic Chemistry   29(17) 3095-3097   Aug 1990
From the previous ab initio theoretical study on the electronic origin of the95Mo NMR chemical shifts of the complexes MoO4-nSn2-(n = 0-4) and MoSe42-, it became clear that the d-d* excitations are the dominant factors in the perturbation theoreti...
H. Nakatsuji, M. Sugimoto
Inorganic Chemistry   29(6) 1221-1225   Jan 1990
The95Mo NMR chemical shift of the molybdenum complexes MoO4−nXn2−(X = S, Se; n = 0−4) is studied theoretically with the ab initio molecular orbital method. The calculated results are in quite good agreement with experiments, showing the reliabilit...

Books etc

Mwtal-Ion Selectivity of Cation-Exchange Resin with Phosphoric Acid Group: A Density Functional Study

Conference Activities & Talks

7th French-Japanese Workshop on Computational Methods in Chemistry   3 Jul 2018   
Chemoinformatics Strasbourg Summer School 2018   27 Jun 2018   
Grand Renewable Energy 2018 (GRE2018)   20 Jun 2018   
Symposium on Streamlining Drug Discovery   5 Jun 2018   Optibrium, Ltd.
7th JCS (Japan-Czech-Slovak) Symposium   24 May 2018   
22 May 2018   Dassault Systèmes BIOVIA, Ltd.
233rd Electrochemical Society (ECS) Meeting   17 May 2018   Electrochemical Society
Electronic-Structure Informatics for Discovery of Functional Molecules [Invited]
27 Mar 2018   
International Congress on Pure & Applied Chemistry (ICPAC) 2018   7 Mar 2018   
27 Feb 2018   
Manabu Sugimoto, Jing-Shuang Dang, Wei-Wei Wang, Ryota Jono, Hiroshi Segawa
Asia-Pacific Hybrid and Organic Photovoltaics Conference (AP-HOPV) 18   30 Jan 2018   
Manabu Sugimoto a, Jing-Shuang Dang a, Wei-Wei Wang a, Ryota Jono a, Hiroshi Segawa a

a, Kumamoto University
b, The University of Tokyo
8-th Asia Pacific Conference on Theoretical and Computational Chemistry (APCTCC-8)   17 Dec 2017   
5 th Autumn School of Chemoinformatics in Nara , 2017   15 Nov 2017   
WANG, Weiwei; DANG, Jingshuang; SUGIMOTO, Manabu; SEGAWA, Hiroshi
21 Oct 2017   
INOUE Takafumi, SUGIMOTO Manabu
Chem-Bio Informatics Society(CBI) Annual Meeting 2017   3 Oct 2017   
Wei-Wei Wang, Jing-Shuang Dang, Manabu Sugimoto
23 Oct 2016   
Third International Symposium on the Photofunctional Chemistry of Complex Systems (ISPCCS2015)   13 Dec 2015   
5-th Asian Conference on Coordination Chemistry (ACCC5)   16 Jul 2015   


Theoretical Studies on Photochemical Properties of Metal Complexes
1997 - 2002
Theoretical Studies on Emissive Compounds for Organic Light Emitting Devices
1999 - 2002

Social Contribution

[Planner, Organizing Member]  (Kumamoto)  26 Oct 2018 - 27 Oct 2018
[Presenter, Planner, Organizing Member, Report writing, Contribution]  (Kumamoto)  21 Oct 2017 - 22 Oct 2017