論文

公開件数: 65 件
No. 掲載種別 単著・共著区分 タイトル 著者 誌名 出版者 巻号頁 出版日 ISSN DOI URL 概要
1 研究論文(学術雑誌)
共著
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, and Seiji Mori
J. Am. Chem. Soc.
American Chemical Society
139/ 30, 10347-10358
2017/07/04

10.1021/jacs.7b04279


2 研究論文(学術雑誌)
共著
Exploring Full Catalytic Cycle of Rhodium(I)-BINAP Catalyzed Isomerisation of Allylic Amines: A Graph Theoretical Approach of Path Optimisation
Takayoshi Yoshimura, Satoshi Maeda,* Tetsuya Taketsugu, Masaya Sawamura, Keiji Morokuma,* Seiji Mori
Chemical Science
RSC publishing
8/ 6, 4475-4488
2017/04

10.1039/C7SC00401J

We explored the reaction mechanism of the cationic rhodium(I)–BINAP complex catalysed isomerisation of allylic amines using the artificial force induced reaction method with the global reaction route mapping strategy, which enabled us to search for various reaction paths without assumption of transition states. The entire reaction network was reproduced in the form of a graph, and reasonable paths were selected from the complicated network using Prim’s algorithm. As a result, a new dissociative reaction mechanism was proposed. Our comprehensive reaction path search provided rationales for the E/Z and S/R selectivities of the stereoselective reaction.
3 研究論文(学術雑誌)
共著
Facile Estimation of Catalytic Activity and Selectivities in Copolymerization of Propylene Oxide with Carbon Dioxide Mediated by Metal Complexes with Planar Tetradentate Ligand
Takahiro Ohkawara, Kohei Suzuki, Koji Nakano, Seiji Mori, and Kyoko Nozaki
J. Am. Chem. Soc.

136/ 30, 10728–10735
2014/07/15

10.1021/ja5046814

Mechanistic studies were conducted to estimate (1) catalytic activity for PPC, (2) PPC/CPC selectivity, and (3) PPC/PPO selectivity for the metal-catalyzed copolymerization of propylene oxide with carbon dioxide [PPC: poly(propylene carbonate); CPC = cyclic propylene carbonate; PPO: poly(propylene oxide)].
4 研究論文(学術雑誌)
共著
Theoretical Studies of Rhodium-Catalyzed Borylation of Nitriles through Cleavage of Carbon-Cyano Bonds
Hirotaka Kinuta, Hiroaki Takahashi, Mamoru Tobisu, Seiji Mori, and Naoto Chatani
Bull. Chem. Soc. Jpn

87/ 6, 655-669
2014/04/07

10.1246/bcsj.20130332

Rhodium(I)-catalyzed borylation of nitriles is investigated theoretically, using the density functional theory method, to clarify the reaction mechanism, including the formation process of the catalytically active species, carbon-carbon bond cleavage, and the effect of an amine additive. The initial step in this reaction is the formation of a borylrhodium(I) species, in which the rhodium center carries a significant negative charge. The most energetically favorable pathway for carbon-carbon bond cleavage involves the insertion of a cyano group into borylrhodium(I) to form an iminoacyl intermediate, followed by extrusion of boryl isocyanide (iminoacyl mechanism). The calculation suggests that DABCO can react with coproduced reactive boron species, such as boryl chloride and boryl isocyanide, to form stable adducts, lowering the energy of the entire reaction system. In addition, the chemoselectivities among C-CN, C-Br, and C-Cl bonds observed in experimental studies are in good agreement with the calculated activation energies required for these bond activation processes.
5 研究論文(学術雑誌)
共著
Density Functional Studies on Isomerization of Prostaglandin H2 to Prostacyclin
Catalyzed by Cytochrome P450
Tetsuya K. Yanai, Seiji Mori
Chem. Eur. J.

15/ 17, 4464-4473
2009/04/20



At the double: DFT studies on the biosynthesis of prostacyclin (PGI2, see scheme) from prostaglandin H2 (PGH2) show two reaction mechanisms through two different oxidation states, an FeIV-porphyrin intermediate and an FeIII-porphyrin pi-cation radical, followed by a proton-coupled electron-transfer process.
Reaction mechanisms for the isomerization of prostaglandin H2 to prostacyclin catalyzed by cytochrome P450 are investigated by the unrestricted Becke's three-parameter plus Lee-Yang-Parr density functional level of theory. The results show that the homolytic OO bond cleavage of endoperoxide in prostaglandin H2 is the rate-limiting step and that the isomerization proceeds through proton-coupled electron transfer. We located two reaction pathways through an FeIV-porphyrin intermediate and an FeIII-porphyrin pi-cation radical intermediate.
6 研究論文(学術雑誌)
共著
Density Functional Studies on Thromboxane Biosynthesis: Mechanism and Role of the Heme-Thiolate System
Tetsuya K. Yanai, Seiji Mori
Chem. Asian J.

3, 1900-1911
2008/11/1



Reaction mechanisms for the isomerization of prostaglandin H2 to thromboxane A2, and degradation to 12-L-hydroxy-5,8,10-heptadecatrienoic acid (HHT) and malondialdehyde (MDA), catalyzed by thromboxane synthase, were investigated using the unrestricted Becke-three-parameter plus Lee-Yang-Parr (UB3LYP) density functional level theory. In addition to the reaction pathway through FeIV-porphyrin intermediates, a new reaction pathway through FeIII-porphyrin pi-cation radical intermediates was found. Both reactions proceed with the homolytic cleavage of endoperoxide O-O to give an alkoxy radical. This intermediate converts into an allyl radical intermediate by a C-C homolytic cleavage, followed by the formation of thromboxane A2 having a 6-membered ring through a one electron transfer, or the degradation into HHT and MDA. The proposed mechanism shows that an iron(III)-containing system having electron acceptor ability is essential for the 6-membered ring formation leading to thromboxane A2. Our results suggest that the step of the endoperoxide O-O homolytic bond cleavage has the highest activation energy following the binding of prostaglandin H2 to thromboxane synthase.
7 研究論文(学術雑誌)
共著
Quantum Treatment of Hydrogen Nuclei in Primary Kinetic Isotope Effects in Thermal [1,5]-Sigmatropic Hydrogen (or Deuterium) Shift from (Z)-penta-1,3-diene
Yasuaki Itou, Seiji Mori,* Taro Udagawa, Masanori Tachikawa, Takayoshi Ishimoto, Umpei Nagashima
J. Phys. Chem. A

111, 261-267
2007/01

10.1021/jp065759x


8 研究論文(学術雑誌)
共著
Transition States of Binap-Rhodium(I)-Catalyzed Asymmetric Hydrogenation: Theoretical Studies on the Origin of the Enantioselectivity
Seiji Mori,* Thom Vreven, Keiji Morokuma*
Chem. Asian J.

1/ 3, 391-403
2006/09/18

10.1002/asia.200600014

By using the hybrid IMOMM(B3LYP:MM3) method, we examined the binap-RhI-catalyzed oxidative-addition and insertion steps of the asymmetric hydrogenation of the enamide 2-acetylamino-3-phenylacrylic acid. We report a path that is energetically more favorable for the major enantiomer than for the minor enantiomer. This path follows the lock-and-key motif and leads to the major enantiomeric product via an energetically favorable binap-dihydride-RhIII-enamide complex. Our theoretical results are consistent with the mechanism that takes place via RhIII dihydride formation, that is, oxidative addition of H2 followed by enamide insertion.
9 研究論文(学術雑誌)
共著
Hyperconjugative Effects in the Stereoselective Ring Opening Reactions of Oxetenoxides
Seiji Mori,* Mitsuru Shindo
Org. Lett.

6, 3945-3948
2004/10




10 研究論文(学術雑誌)
共著
Wherefore are thou Copper? Structures and Reaction Mechanisms of Organocuprate Clusters
Eiichi Nakamura* and Seiji Mori
Angew. Chem. Int. Ed.

39, 3750-3771
2000



Organocopper reagents provide the most general synthetic tools in organic chemistry for nucleophilic delivery of hard carbanions to electrophilic carbon centers. A number of structural and mechanistic studies have been reported and led to a wide variety of mechanistic proposals, some of which might even be contradictory to others. With the recent advent of physical and theoretical methodologies, the accumulated knowledge on organocopper chemistry is being put together into a few major mechanistic principles. This review will summarize first the general structural features of organocopper compounds and the previous mechanistic arguments, and then describe the most recent mechanistic pictures obtained through high-level quantum mechanical calculations for three typical cuprate reactions, car
11 研究論文(学術雑誌)
共著
Cavity Closure of 2-Hydroxypropyl-β-Cyclodextrin: Replica Exchange Molecular Dynamics Simulations
Khanittha Kerdpol, Jintawee Kicuntod, Peter Wolschann, Seiji Mori, Chompoonut Rungnim, Manaschai Kunaseth, Hisashi Okumura, Nawee Kungwan, and Thanyada Rungrotmongkol
Polymers
MDPI
11/ 1, 145
2019/01/16

10.3390/polym11010145
URL

12 研究論文(学術雑誌)
共著
Theoretical investigations of Rh‐catalyzed asymmetric 1, 4‐addition to enones using planar‐chiral phosphine‐olefin ligands
Kyohei Kawashima, Takehiro Sato, Masamichi Ogasawara, Ken Kamikawa, Seiji Mori
Journal of computational chemistry
Wiley
40/ 1, 113-118
2019/01/05

10.1002/jcc.25550
URL

13 研究論文(学術雑誌)
共著
QM/MM Investigation for Protonation States in a Bilin Reductase PcyA‐Biliverdin IXɑ Complex
Eri Iijima M. Paul Gleeson Masaki Unno Seiji Mori
ChemPhysChem
Wiley
19/ 15, 1809-1813
2018/08/07

10.1002/cphc.201800031


14 研究論文(学術雑誌)
共著
Enantiocontrol by assembled attractive interactions in copper-catalyzed asymmetric direct alkynylation of α-ketoesters with terminal alkynes: OH・・・O/sp3-CH・・・O two-point hydrogen-bonding combined with dispersive attractions
Martin C Schwarzer, Akane Fujioka, Takaoki Ishii, Hirohisa Ohmiya, Seiji Mori, Masaya Sawamura
Chemical Science

9, 3484-3493
2018/02/28

10.1039/C8SC00527C
URL
Copper-catalyzed asymmetric direct alkynylation of α-ketoesters with terminal alkynes with chiral prolinol–phosphine ligands, most preferably (αR,2S)-1-(2-dicyclohexylphosphinobenzyl)-α-neopentyl-2-pyrrolidinemethanol, afforded various enantioenriched chiral propargylic tertiary alcohols. Quantum-chemical calculations using the BP86 density functional including Grimme's empirical dispersion correction [DF-BP86-D3(BJ)-PCM(tBuOH)/TZVPP//DF-BP86-D3(BJ)/SVP] show the occurrence of OH⋯O/sp3-CH⋯O two-point hydrogen bonding between the chiral ligand and the carbonyl group of the ketoester in the stereo-determining transition states. Combined with the hydrogen-bonding interactions orienting the ketoester substrate, dispersive attractions between the chiral ligand (P-cyclohexyl groups) and the ketoester in the favored transition states, rather than steric repulsions in the disfavored transition state explain the enantioselectivity of the asymmetric copper catalysis.
15 研究論文(学術雑誌)
共著
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
J. Biol. Inorg. Chem.

23/ 1, 51-59
2017/12/07

10.1007/s00775-017-1508-6
URL

16 研究論文(学術雑誌)
共著
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 and Yuichi Shimazaki
ChemistrySelect
Wiley
2/ 31, 10221-10231
2017/10/31

10.1002/slct.201701986


17 研究論文(学術雑誌)
共著
Asymmetric Synthesis of β‐Lactams through Copper‐Catalyzed Alkyne‐Nitrone Coupling with Prolinol‐Phosphine Chiral Ligand
Yurie Takayama, Takaoki Ishii, Hirohisa Ohmiya, Tomohiro Iwai, Martin C Schwarzer, Seiji Mori, Tohru Taniguchi, Kenji Monde, Masaya Sawamura
Chem. Eur. J.


2017/05/09

10.1002/chem.201702070

Prolinol-phosphine chiral ligands enabled highly enantioselective copper-catalyzed intermolecular alkyne-nitrone coupling (Kinugasa reaction) to produce 1,3,4-trisubstituted chiral β-lactams. A high level of enantiocontrol was achieved not only with aryl- or alkenylacetylenes but also with alkylacetylenes, which were important but unfavorable substrates in the previously reported protocols. Two-point hydrogen-bonding between the chiral ligand and the nitrone oxyanion consisting of O-H···O and C(sp3)-H···O hydrogen bonds is proposed.
18 研究論文(学術雑誌)
共著
Molecular Mechanism of Palladium-Catalysed Cyanoesterification of Methyl Cyanoformate onto Norbornene
Takuya Ishitsuka, Yasuhiro Okuda, Robert K. Szilagyi, Seiji Mori, Yasushi Nishihara
Dalton Transactions

45, 7786-7793
2016

10.1039/C6DT00341A


19 研究論文(学術雑誌)
共著
Investigation of Substitution Effect on Fluorescence Properties of Zn2+-Selective Ratiometric Fluorescent Compounds: 2-(2'-Hydroxyphenyl)benzimidazole Derivatives
Kazuhiro Akutsu, Seiji Mori, Kenichi Shinmei, Hiroki Iwase, Yoshiharu Nakano, Yuki Fujii
Talanta

575-584
2015

10.1016/j.talanta.2015.09.001


20 研究論文(学術雑誌)
共著
Copper-catalyzed enantioselective allylic cross-coupling with alkylboranes
Kentaro Hojoh, Yoshinori Shido, Kazunori Nagao, Seiji Mori, Hirohisa Ohmiya, Masaya Sawamura
Tetrahedron

71/ 37, 6519-6533
2015/09/16

10.1016/j.tet.2015.05.048


21 研究論文(学術雑誌)
共著
Copper-Catalyzed γ-Selective and Stereospecific Allylic Cross-Coupling with Secondary Alkylboranes
Yuto Yasuda, Kazunori Nagao,Yoshinori Shido, Seiji Mori, Hirohisa Ohmiya, and Masaya Sawamura
Chem. Eur. J.

21/ 27, 9666-9670
2015/06/26

10.1002/chem.201501055


22 研究論文(学術雑誌)
共著
Skeletal Rearrangement of Cyano-Substituted Iminoisobenzofurans into Alkyl 2-Cyanobenzoates Catalyzed by B(C6F5)3
Jing Li, Yasuhiro Okuda, Jiali Zhao, Seiji Mori, Yasushi Nishihara
Organic Letters

16/ 19, 5220-5223
2014

10.1021/ol5026519


23 研究論文(学術雑誌)
共著
Mechanistic Insights into the Catalytic Reaction of Plant Allene Oxide Synthase (pAOS) via QM and QM/MM Calculations
Tuanjai Somboon, Jun Ochiai, Witcha Treesuwan, M. Paul Gleeson, Supa Hannongbua, Seiji Mori
J. Mol. Graph. Model.

52, 20-29
2014/06/12

10.1016/j.jmgm.2014.05.012


24 研究論文(学術雑誌)
共著
Redox Chemistry of Nickel(II)-Complexes Supported by a Series of Non-innocent β-Diketiminate Ligands
June Takaichi, Yuma Morimoto, Kei Ohkubo, Chizu Shimokawa, Takayuki Hojo, Seiji Mori, Haruyasu Asahara, Hideki Sugimoto, Nobutaka Fujieda, Nagatoshi Nishiwaki, Shunichi Fukuzumi, and Shinobu Itoh
Inorg. Chem.

53
2014/06/02

10.1021/ic5006693


25 研究論文(学術雑誌)
共著
The Origin of Exo-Selectivity in Methyl Cyanoformate Addition onto the C=C Bond of Norbornene in Pd-Catalyzed Cyanoesterification
Yasuhiro Okuda, Robert K Szilagyi, Seiji Mori and Yasushi Nishihara
Dalton Trans.

43, 9537-9548
2014/04/10

10.1039/C4DT00839A


26 研究論文(学術雑誌)
共著
Experimental and Theoretical Studies on the Platinum-Mediated Selective C(sp)−Si Bond Cleavage of Alkynylsilanes
Yasuhiro Okuda, Yuya Ishiguro, Seiji Mori, Kiyohiko Nakajima, Yasushi Nishihara
Organometallics

33/ 7, 1878–1889
2014/03/27

10.1021/om5002588


27 研究論文(学術雑誌)
共著
Cooperative Catalysis of Metal and O-H・・・O/sp3-C-H・・・O Two-point Hydrogen Bonds in Alcoholic Solvents: Copper-catalyzed Enantioselective Direct Alkynylation of Aldehydes with Terminal Alkynes
Takaoki Ishii, Ryo Watanabe, Toshimitsu Moriya, Hirohisa Ohmiya, Seiji Mori, and Masaya Sawamura
Chem. Eur. J.

19/ 40, 13547–13553
2013

10.1002/chem.201301280


28 研究論文(学術雑誌)
共著
An Efficient Access to Aspermytin A and Oblongolide C through an Intermolecular Nitrile Oxide-Alkene [3+2] Cycloaddition
Atsushi Inoue, Makoto Kanematsu, Seiji Mori, Masahiro Yoshida, Kozo Shishido
Synlett

24/ 1, 61-64
2013

10.1055/s-0032-1317693


29 研究論文(学術雑誌)
共著
An Osmium(III)/Osmium(V) Redox Couple Generating OsV(O)(OH) Center for cis-1,2-Dihydroxylation of Alkenes with H2O2: Os Complex with a Nitrogen-Based Tetradentate Ligand
Hideki Sugimoto, Kazuhiro Kitayama, Seiji Mori, and Shinobu Itoh
J. Am. Chem. Soc.

134, 19270-19280
2012/10/30

10.1021/ja309566c


30 研究論文(学術雑誌)
共著
Quantum chemical studies on the role of water microsolvation in interactions between group 12 metal species (Hg2+, Cd2+, and Zn2+) and neutral and deprotonated cysteines
Seiji Mori, Takahiro Endoh, Yuki Yaguchi, Yuuhei Shimizu , Takayoshi Kishi,Tetsuya K. Yanai
Theor.Chem. Acc.

130, 279-297
2011

10.1007/s00214-011-0975-z


31 研究論文(学術雑誌)
共著
Theoretical Studies on Model Reaction Pathways of Prostaglandin H2 Isomerization to Prostaglandin D2/E2
Naoto Yamaguchi, Tatsuya Naiki, Takamitsu Kohzuma, Toshikazu Takada,Fumihiko Sakata, Seiji Mori
Theor. Chem. Acc.

128, 191-206
2010

10.1007/s00214-010-0814-7

Model reaction mechanisms in the biosynthesis of prostaglandin D2 (PGD2) and prostaglandin E2 (PGE2) from prostaglandin H2 with PGD2/E2 synthase were examined using the ab initio second-order Møller–Plesset perturbation method and density functional theory. The reaction was modeled similar to the isomerization of 2,3-dioxabicyclo[2.2.1]heptane to 3-hydroxycyclopentanone in the presence of MeS−. An explicit solvation of two H2O molecules was also considered, and two probable types of reaction mechanisms were demonstrated. One mechanism starts with proton abstraction from an oxygen-bound carbon at the endoperoxide by a thiolate ion and the other is stepwise and involves attack of a thiolate anion on an oxygen of the endoperoxide group in the first step with protonation of the other oxygen, followed by deprotonation from a carbon-attached oxygen to break an O–S bond to yield PGD2 or PGE2. We also found that the mPW1LYP hybrid method was superior to the B3LYP functional for systems with respect to the state-of-the-art CCSD(T) energetics.
32 研究論文(学術雑誌)
共著
UV Resonance Raman Studies on the Activation Mechanism of Human Hematopoietic Prostaglandin D2 Synthase by a Divalent Cation, Mg2+
Yoshiko Uchida, Yoshihiro Urade, Seiji Mori, Takamitsu Kohzuma,
J. Inorg. Biochem

104, 331-340
2010

10.1016/j.jinorgbio.2009.12.003

The Mg2+ ion-assisted activation mechanism of the active site Tyr8 of a human hematopoietic prostaglandin D2 synthase (H-PGDS) was studied by ultraviolet resonance Raman (UVRR) spectroscopy. Addition of Mg2+ to the native H-PGDS at pH 8.0 resulted in the Y8a Raman band of Tyr8 shifting from 1615 cm−1 to 1600 cm−1. This large shift to lower energy of the tyrosine Y8a vibrational mode is caused by the deprotonation of the tyrosine phenol group promoted by binding of Mg2+. Upon subsequent addition of glutathione (GSH), the Mg2+/H-PGDS solution showed the Tyr8 Raman band shifted to 1611 cm−1, which is 11 cm−1 higher than the frequency of the Mg2+ complex of H-PGDS, but 4 cm−1 lower than the Mg2+ free enzyme. These UVRR observations suggest that the deprotonated Tyr8 in the presence of Mg2+ is re-protonated by the abstraction of H+ from the thiol group of GSH, and that the re-protonated Tyr8 species forms a hydrogen bond with the thiolate anion of GSH. Density functional theory calculations on several model complexes of p-cresol were also performed, which suggested that the pKa and vibrational frequencies of the Tyr8 phenol group are affected by the degree and structure of hydration of the Tyr8 residue.
33 研究論文(学術雑誌)
共著
Regioselective Synthesis of Heterocycles containing Nitrogen Neighboring an Aromatic Ring by the Reductive Ring Expansion using Diisobutylaluminum Hydride (DIBALH) and Studies on the Reaction Mechanism
Hidetsura Cho, Yusuke Iwama, Kenji Sugimoto, Seiji Mori, Hidetoshi Tokuyama
J. Org. Chem.

75/ 3, 627–636
2010/02/05

10.1021/jo902177p


34 研究論文(学術雑誌)
共著
Theoretical Study on the Cycloaddition Reaction of a Tungsten-Containing Carbonyl Ylide
Kazuta Ito, Yoshihiro Hara, Seiji Mori, Hiroyuki Kusama, and Nobuharu Iwasawa
Chem. Eur. J.

65/ 8831-8838
2009

10.1002/chem.200901033


35 研究論文(学術雑誌)
共著
The effects of C–S and C–Se bonds on torquoselectivity: stereoselective olefination of alpha-thio and alpha-selenoketones with ynolates
Takashi Yoshikawa, Seiji Mori, Mitsuru Shindo
Tetrahedron

65/ 43, 8832-8838
2009/10/24

10.1016/j.tet.2009.08.060

Highly Z-selective olefination of acyclic α-thio and α-selenoketones with ynolates has been achieved, and the theoretical calculations of the transition states in the ring-opening of the intermediates, the β-lactone enolates, revealed that the torquoselectivity was controlled by the secondary orbital interactions between the σ orbital of the C–S bond or a lone pair orbital on the S and σ* orbitals of the breaking C–O bond, and the σ orbital of the breaking C–O bond or a lone pair orbital on the O on the ring and the σ* orbitals of the C–S bond. The synthetic applications of the resulting olefins are also shown.
36 (MISC)総説・解説(国際会議プロシーディングズ)
共著
Unusual Reactions Catalyzed by Cytochrome P450: Computational Studies on Isomerizations of Prostaglandin H2
Seiji Mori, Tetsuya K. Yanai
16th International Conference on Cytochrome P450


2009/09




37 研究論文(学術雑誌)
共著
Equilibrium and ab initio computational studies on the adduct formation of 1,3-diketonatolithium(
I), -sodium(I) and -potassium(I) with 1,10-phenanthroline and its 2,9-dimethyl derivatives
Ken-ichiro Ishimori, Seiji Mori,Yuji Ito, Kousaburo Ohashi, Hisanori Imura
Talanta

78/ 4-5, 1272-1279
2009/06/15

doi:10.1016/j.talanta.2009.01.052

Highly effective and selective synergistic extraction of Li+ has been found using
2-naphthoyltrifluoroacetone (Hnta) as an acidic chelating agent and
2,9-dimethyl-1,10-phenanthroline (dmp) or 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline
(dmdpp) as a neutral ligand (denoted as L) in toluene. The synergism was ascribed to the
adduct formation in the organic phase, and the composition and the formation constants of the
adducts for alkali metal ions (M+) were determined by the extraction equilibrium analysis.
The adducts found were M(nta)L for Li+ and Na+, while M(nta)L and M(nta)L2 for K+. To
understand thermodynamics of the adduct formation with the bidentate amines, quantum
chemical calculations of the 1:1 and 1:2 adduct formations with dmp and 1,10-phenanthroline
(phen) were performed. The electronic and steric effect of the methyl groups at
2,9-positions of phen on the thermodynamic functions of adduct formation as well as the high
lithium selectivity were quantitatively elucidated.
38 研究論文(学術雑誌)
共著
The Effect of Alkynyl Groups on Torquoselectivity. Highly Stereoselective Olefination of Alkynyl Ketones with Ynolates.
Takashi Yoshikawa, Seiji Mori, Mitsuru Shindo
J. Am. Chem. Soc.

131/ 6, 2092–2093
2009/01/21

10.1021/ja809592q


39 研究論文(学術雑誌)
共著
Torquoselective Olefination of Carbonyl Compounds with Ynolates: Highly Efficient Stereoselective Synthesis of Tetrasubstituted Alkenes
Mitsuru Shindo, Seiji Mori
Synlett

15, 2231-2243
2008/09

10.1055/s-2008-1077971


40 研究論文(学術雑誌)
共著
イノラートによる回転選択的オレフィン化反応
新藤 充,森 聖治
有機合成化学協会誌

66/ 1
2008/01/01




41 研究論文(学術雑誌)
共著
Heteroatom-Guided Olefination of a-Oxy and a-Amino Ketones via Ynolates. Hyperconjugative Interactions rather than Chelation Induce High Z-Selectivity
Mitsuru Shindo,* Takashi Yoshikawa, Yasuaki Itou, Seiji Mori, Takeshi Nishii, Kozo Shishido
Chem. Eur. J.

12, 524-536
2005/12/23

10.1002/chem.200500574


42 研究論文(学術雑誌)
共著
Elucidation of the Mechanism of the 1,6-Cuprate Addition to Acceptor-Substituted Enynes via 13C Kinetic Isotope Effects: Experimental and Theoretical Studies
Seiji Mori,* Marc Uerdingen, Norbert Krause,* and Keiji Morokuma*
Angew. Chem. Int. Ed.

44, 4715-4719
2005/08

10.1002/anie.200462976


43 研究論文(国際会議プロシーディングス)
共著
Quantum chemical studies on interactions between heavy metal species and biomolecules
Seiji Mori,* Takahiro Endoh , Takayoshi Kishi
RMZ-Materials and Geoenvironment, Part 3

p.1997-2000
2004




44 研究論文(学術雑誌)
共著
Mechanism of Addition of Organocuprates to Alkynyl Carbonyl Compounds. A Mechanistic Bridge between Carbocupration and Conjugate Addition
Seiji Mori, Eiichi Nakamura, Keiji Morokuma,
Organometallics

23, 1081-1088
2004

10.1021/om034339g


45 研究論文(学術雑誌)
共著
高精度量子化学計算を用いた有機金属反応の解明
森 聖治、中村栄一
有機合成化学協会誌

50, 144-151
2003




46 研究論文(学術雑誌)
共著
Iron(III) Catalyzed Convenient One-Pot Synthesis of Homoallyl Benzyl Ethers Starting from Aldehydes
Tsutomu Watahiki, Yusuke Akabane, Seiji Mori, Takeshi Oriyama*
Org. Lett.

5, 3045-3048
2003

10.1021/ol035019w


47 研究論文(学術雑誌)
共著
Density Functional Studies on Kinetic Reactivity of "Higher Order" Lipshutz Cuprate in Addition Reaction to Acetylene
Masahiro Yamanaka, Seiji Mori and Eiichi Nakamura*
Bull. Soc. Chem. Jpn.

75, 1815-1818
2002




48 研究論文(学術雑誌)
共著
The First General Method for Z-Selecive Olefination of Silyl Ketones via Ynolate Anions Providing Multisubstituted Alkenes.
Mitsuru Shindo,* Kenji Matsumoto,Seiji Mori, Kozo Shishido
J. Am. Chem. Soc.

124, 6840-6841
2002

10.1021/ja026275r


49 研究論文(学術雑誌)
共著
On the Kinetic Reactivity of "Higher Order Cuprate" in SN2 Alkylation Reaction
Eiichi Nakamura,* Masahiro Yamanaka, Naohiko Yoshikai, and Seiji Mori
Angew. Chem. Int. Ed.

40, 1935-1938
2001




50 研究論文(学術雑誌)
共著
Correlation of Reactivities of Organocuprate(I) and Zincate(II) with d-Orbital Energies of Ate Complexes
Seiji Mori, Atsushi Hirai, Masaharu Nakamura, and Eiichi Nakamura
Tetrahedron

56, 2805-2809
2000




51 研究論文(学術雑誌)
共著
Complexation of Lewis Acid on Trialkylcopper(III) Species. On the Origin of BF3 Effects on Cuprate Conjugate Addition
Eiichi Nakamura,* Masahiro Yamanaka, Seiji Mori
J. Am. Chem. Soc.

122, 1826-1827
2000




52 研究論文(学術雑誌)
共著
Mechanism of SN2 Alkylation Reactions of Lithium Organocuprate Clusters with Alkyl Halides and Epoxides
Seiji Mori, E. Nakamura,* K. Morokuma*
J. Am. Chem. Soc.

122, 7294-7307
2000

10.1021/ja993124o


53 研究論文(学術雑誌)
共著
Correlation of coordination geometry of copper atom to reactivities of organocuprate. Molecular orbital analysis of dimethylcuprate anion
Seiji Mori, Eiichi Nakamura*
Tetrahedron Lett.

40, 5319-5322
1999




54 研究論文(学術雑誌)
共著
Theoretical Studies on pi-Complex Formation of Organocopper Compounds with Acetylene. The Origin of Nucleoplilicity of Organocuprates
Seiji Mori, Eiichi Nakamura*
J. Mol. Struct. (Theochem)

461-462, 167
1999




55 研究論文(学術雑誌)
共著
Density Functional Studies on Conjugate Addition of (Me2CuLi)2 to Cyclohexenone. Diastereoselectivity and Rate Limiting Step.
Seiji Mori, Eiichi Nakamura*
Chem. Eur. J.

5/ 5, 1534-1543
1999




56 研究論文(学術雑誌)
共著
SN2 Substitution on sp2 Nitrogen of Protonated Oxime
Seiji Mori, Katsuya Uchiyama, Yujiro Hayashi, Koichi Narasaka,* and Eiichi Nakamura*
Chem. Lett.

111-112
1998




57 研究論文(学術雑誌)
共著
Olefin Carbometalation with (Alkoxy)allylic Lithium and Zinc Reagents. Four-centered vs.Six-centered Mechanism of Allylmetalation Reaction
Katsumi Kubota, Seiji Mori, Masaharu Nakamura and Eiichi Nakamura*
J. Am. Chem. Soc.

120, 13334-13341
1998/12/30

10.1021/ja981634x


58 研究論文(学術雑誌)
共著
Theoretical Studies on SN2-Reaction of MeBr with Me2CuLi•LiCl. Solvent and Cluster Effects on Oxidative Addition/Reductive Elimination Pathway
Eiichi Nakamura,* Seiji Mori, Keiji Morokuma*
J. Am. Chem. Soc.

120, 8273-8274
1998/08/19

10.1021/ja9800030


59 研究論文(学術雑誌)
共著
Open Dimer Participation in Chelation Controlled Addition of Methyllithium Dimer to a- and b-Alkoxy Aldehydes
Seiji Mori, Byeang Hyean Kim, Masaharu Nakamura, and Eiichi Nakamura*
Chem. Lett.

1079-1080
1997




60 研究論文(国際会議プロシーディングス)
共著
Fullerene that binds a metal on the pentagon
Eiichi Nakamura, Masaya Sawamura, Hitoshi Iikura, Seiji Mori
Proc. Electrochem.Soc. (Recent Advances in the Chemistry and Physics of Fullerenes and Related Materials)

97-14, 298-308
1997




61 研究論文(学術雑誌)
共著
Endohedral Homo-conjugation in Cyclopentadiene Embedded in C60. Theoretical and Electrochemical Evidence
Hitoshi Iikura, Seiji Mori, Masaya Sawamura,* Eiichi Nakamura*
J. Org. Chem.

62, 7912-7913
1997




62 研究論文(学術雑誌)
共著
Reaction Pathway of the Conjugate Addition of Cithium Organocuptate Clusters to Acrolein
Eiichi Nakamura, Seiji Mori, Keiji Morokuma
J. Am. Chem. Soc.

119, 4900-4910
1997

10.1021/ja0002060


63 研究論文(学術雑誌)
共著
Theoretical Studies on the Addition of Polymetallic Lithicum Organocuprate Clusters to Acrolein
Eiichi Nakamura,* Seiji Mori, Masaharu Nakamura, Keiji Morokuma*
J. Am. Chem. Soc

119, 4887-4899
1997

10.1021/ja964208p


64 研究論文(学術雑誌)
共著
Unusnally Stable Mercury Hydrides and Radicals
Eiichi Nakamura, Yong Yu, Seiji Mori, Shigeru Yamago
Angew. Chem. Int. Ed. Engl.

36/ 4, 374-376
1997

10.1002/anie.199703741


65 研究論文(学術雑誌)
共著
Theoretical Studies on Chelation Controlled Carbonyl Addition Me2Mg Addition to α-and β-Alkoxy Ketones and Aldehydes.
Seiji Mori, Masaharu Nakamura, Eiichi Nakamura,* Nobuaki Koga, Keiji Morokuma*
J. Am. Chem. Soc.

117, 5055-5065
1995