Can carbon dioxide coordinate to a nickel(I) complex? An ab initio MO/SD-CI study

Shigeyoshi Sakaki

doi:10.1021/ja00177a062

Can carbon dioxide coordinate to a nickel(I) complex? An ab initio MO/SD-CI study

Journal of the American Chemical Society ◽

10.1021/ja00177a062 ◽

1990 ◽

Vol 112 (21) ◽

pp. 7813-7814 ◽

Cited By ~ 33

Author(s):

Shigeyoshi Sakaki

Keyword(s):

Carbon Dioxide ◽

Ab Initio ◽

Ab Initio Mo

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Electronic structure and enhanced reactivity of carbon dioxide coordinated with a rhodium(I) complex. An ab initio MO study

Inorganic Chemistry ◽

10.1021/ic00300a024 ◽

1989 ◽

Vol 28 (1) ◽

pp. 103-109 ◽

Cited By ~ 18

Author(s):

Shigeyoshi Sakaki ◽

Tetsuro Aizawa ◽

Nobuaki Koga ◽

Keiji Morokuma ◽

Katsutoshi Ohkubo

Keyword(s):

Carbon Dioxide ◽

Electronic Structure ◽

Ab Initio ◽

Ab Initio Mo

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Infrared spectrum and structure of an ammonia—carbon dioxide complex. A comparison between AB initio mo calculations and matrix isolation results

Chemical Physics ◽

10.1016/0301-0104(77)87081-x ◽

1977 ◽

Vol 25 (2) ◽

pp. 263-269 ◽

Cited By ~ 43

Author(s):

B. Jönsson ◽

B. Nelander

Keyword(s):

Carbon Dioxide ◽

Infrared Spectrum ◽

Ab Initio ◽

Matrix Isolation ◽

Mo Calculations ◽

Ab Initio Mo Calculations ◽

Ab Initio Mo

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Coordination mode and bonding nature of carbon dioxide in d8 [Co(alcn(2(CO2)]- (alcn = HNCHCHCHO-). An ab initio MO study

Inorganic Chemistry ◽

10.1021/ic00267a013 ◽

1987 ◽

Vol 26 (20) ◽

pp. 3278-3284 ◽

Cited By ~ 32

Author(s):

S. Sakaki ◽

A. Dedieu

Keyword(s):

Carbon Dioxide ◽

Ab Initio ◽

Coordination Mode ◽

Ab Initio Mo

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Characteristic features of carbon dioxide insertion into a copper-hydrogen bond. An ab initio MO study

Inorganic Chemistry ◽

10.1021/ic00285a005 ◽

1988 ◽

Vol 27 (12) ◽

pp. 2020-2021 ◽

Cited By ~ 22

Author(s):

Shigeyoshi Sakaki ◽

Katsutoshi Ohkubo

Keyword(s):

Carbon Dioxide ◽

Hydrogen Bond ◽

Ab Initio ◽

Ab Initio Mo ◽

Characteristic Features

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Ab initio MO and SD-CI study of (carbon dioxide)bis(phosphine)nickel. Electron correlation effects on geometry, binding energy, and electronic structure

Inorganic Chemistry ◽

10.1021/ic00342a011 ◽

1990 ◽

Vol 29 (17) ◽

pp. 3110-3116 ◽

Cited By ~ 23

Author(s):

Shigeyoshi Sakaki ◽

Nobuaki Koga ◽

Keiji Morokuma

Keyword(s):

Carbon Dioxide ◽

Electronic Structure ◽

Binding Energy ◽

Ab Initio ◽

Electron Correlation ◽

Correlation Effects ◽

Electron Correlation Effects ◽

Ab Initio Mo

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Molecular dynamics simulations of fluid carbon dioxide using the model potential based on ab initio MO calculation

Computational Materials Science ◽

10.1016/s0927-0256(98)00111-6 ◽

1999 ◽

Vol 14 (1-4) ◽

pp. 220-226 ◽

Cited By ~ 14

Author(s):

Seiji Tsuzuki ◽

Kazutoshi Tanabe

Keyword(s):

Carbon Dioxide ◽

Molecular Dynamics ◽

Ab Initio ◽

Molecular Dynamics Simulations ◽

Model Potential ◽

Mo Calculation ◽

Ab Initio Mo ◽

Dynamics Simulations

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ChemInform Abstract: Electronic Structure and Enhanced Reactivity of Carbon Dioxide Coordinated with a Rhodium(I) Complex. An ab initio MO Study

ChemInform ◽

10.1002/chin.198912002 ◽

1989 ◽

Vol 20 (12) ◽

Author(s):

S. SAKAKI ◽

T. AIZAWA ◽

N. KOGA ◽

K. MOROKUMA ◽

K. OHKUBO

Keyword(s):

Carbon Dioxide ◽

Electronic Structure ◽

Ab Initio ◽

Ab Initio Mo

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ChemInform Abstract: Coordination Mode and Bonding Nature of Carbon Dioxide in d8 (Co(alcn)2(CO2))- (alcn: HNCHCHCHO-). An ab initio MO Study.

ChemInform ◽

10.1002/chin.198804068 ◽

1988 ◽

Vol 19 (4) ◽

Author(s):

S. SAKAKI ◽

A. DEDIEU

Keyword(s):

Carbon Dioxide ◽

Ab Initio ◽

Coordination Mode ◽

Ab Initio Mo

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Ab initio MO study of carbon dioxide insertion into a methyl-copper(I) bond. Critical difference from CO2 insertion into a hydrogen-copper(I) bond

Organometallics ◽

10.1021/om00114a039 ◽

1989 ◽

Vol 8 (12) ◽

pp. 2970-2973 ◽

Cited By ~ 26

Author(s):

Shigeyoshi. Sakaki ◽

Katsutoshi. Ohkubo

Keyword(s):

Carbon Dioxide ◽

Ab Initio ◽

Critical Difference ◽

Ab Initio Mo

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Ab initio MO study of carbon dioxide insertion into a copper(I)-hydrogen bond. Semiquantitative understanding of changes in geometry, bonding, and electron distribution during the reaction

Inorganic Chemistry ◽

10.1021/ic00312a016 ◽

1989 ◽

Vol 28 (13) ◽

pp. 2583-2590 ◽

Cited By ~ 31

Author(s):

Shigeyoshi Sakaki ◽

Katsutoshi Ohkubo

Keyword(s):

Carbon Dioxide ◽

Hydrogen Bond ◽

Ab Initio ◽

Electron Distribution ◽

Ab Initio Mo

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