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

Shigeyoshi Sakaki; Tetsuro Aizawa; Nobuaki Koga; Keiji Morokuma; Katsutoshi Ohkubo

doi:10.1021/ic00300a024

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

Download Full-text

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

Download Full-text

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

Download Full-text

An ab initio MO calculation of the electronic structure and geometry of protonated methanol

Journal of Molecular Structure ◽

10.1016/0022-2860(76)85053-3 ◽

1976 ◽

Vol 30 (1) ◽

pp. 129-136 ◽

Cited By ~ 8

Author(s):

Even Flood ◽

Edvin Wisløff Nilssen

Keyword(s):

Electronic Structure ◽

Ab Initio ◽

Mo Calculation ◽

Ab Initio Mo

Download Full-text

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

Download Full-text

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

Download Full-text

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

Download Full-text

ChemInform Abstract: MOLECULAR AND ELECTRONIC STRUCTURE OF HOMOAROMATIC COMPOUNDS: CIS,CIS,CIS-CYCLONONA-1,4,7-TRIENE (IA) AND 1,4,7-TRIOXONIN (IB); A STUDY BY PHOTOELECTRON SPECTROSCOPY AND AB INITIO MO METHODS

Chemischer Informationsdienst ◽

10.1002/chin.198102044 ◽

1981 ◽

Vol 12 (2) ◽

Author(s):

M. H. PALMER ◽

J. D. NISBET

Keyword(s):

Electronic Structure ◽

Ab Initio ◽

Photoelectron Spectroscopy ◽

Ab Initio Mo ◽

Molecular And Electronic Structure

Download Full-text

On the bonding and electronic structure of boronoxygen complexes. AB initio MO-calculations on BH3OH2, (BH2OH)2 and related compounds

Journal of Organometallic Chemistry ◽

10.1016/s0022-328x(00)90153-0 ◽

1976 ◽

Vol 110 (1) ◽

pp. 7-14 ◽

Cited By ~ 5

Author(s):

Even Flood ◽

Odd Gropen

Keyword(s):

Electronic Structure ◽

Ab Initio ◽

Mo Calculations ◽

Ab Initio Mo Calculations ◽

Ab Initio Mo ◽

Related Compounds ◽

Oxygen Complexes

Download Full-text

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

Download Full-text

Ab initio MO calculation of (η2-C60)Pt(PH3)2. Electronic structure and interaction between C60 and Pt

Chemical Physics Letters ◽

10.1016/0009-2614(93)85287-x ◽

1993 ◽

Vol 202 (3-4) ◽

pp. 330-334 ◽

Cited By ~ 25

Author(s):

Nobuaki Koga ◽

Keiji Morokuma

Keyword(s):

Electronic Structure ◽

Ab Initio ◽

Mo Calculation ◽

Ab Initio Mo

Download Full-text