Use of extended Hueckel molecular orbital calculations in determining the position of attack in inner-sphere electron-transfer reactions: x-ray crystal structure of (1,3-diphenylpropane-1,3-dionato)bis(ethylenediamine)cobalt(III)

Nita A. Lewis; Christian Friesen; Peter S. White; Robert J. Balahura

doi:10.1021/ic00282a032

Use of extended Hueckel molecular orbital calculations in determining the position of attack in inner-sphere electron-transfer reactions: x-ray crystal structure of (1,3-diphenylpropane-1,3-dionato)bis(ethylenediamine)cobalt(III)

Inorganic Chemistry ◽

10.1021/ic00282a032 ◽

1988 ◽

Vol 27 (9) ◽

pp. 1662-1666 ◽

Cited By ~ 4

Author(s):

Nita A. Lewis ◽

Christian Friesen ◽

Peter S. White ◽

Robert J. Balahura

Keyword(s):

Crystal Structure ◽

Electron Transfer ◽

Molecular Orbital ◽

Transfer Reactions ◽

Molecular Orbital Calculations ◽

Electron Transfer Reactions ◽

X Ray ◽

Inner Sphere

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ChemInform Abstract: Use of Extended Hueckel Molecular Orbital Calculations in Determining the Position of Attack in Inner-Sphere Electron-Transfer Reactions: X-Ray Crystal Structure of (1,3-Diphenylpropane-1,3-dionato)bis(ethylenediamine)cobalt(III).

ChemInform ◽

10.1002/chin.198834266 ◽

1988 ◽

Vol 19 (34) ◽

Author(s):

N. A. LEWIS ◽

C. FRIESEN ◽

P. S. WHITE ◽

R. J. BALAHURA

Keyword(s):

Crystal Structure ◽

Electron Transfer ◽

Molecular Orbital ◽

Transfer Reactions ◽

Molecular Orbital Calculations ◽

Electron Transfer Reactions ◽

X Ray ◽

Inner Sphere

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Role of amino-acid sidechains in electron-transfer reactions in reaction center ofrhodopseudomonas viridis as revealed by extended hückel molecular orbital calculations

Biospectroscopy ◽

10.1002/bspy.350010303 ◽

1995 ◽

Vol 1 (3) ◽

pp. 169-185 ◽

Cited By ~ 5

Author(s):

Hiroyuki Nakagawa ◽

Takashi Okada ◽

Yasushi Koyama

Keyword(s):

Electron Transfer ◽

Amino Acid ◽

Reaction Center ◽

Molecular Orbital ◽

Transfer Reactions ◽

Molecular Orbital Calculations ◽

Electron Transfer Reactions ◽

Extended Hückel

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Synthesis and crystal structure of nickel(II) complexes of macrobicyclic ligands: identification and electron-transfer reactions of the corresponding nickel(III) complexes in solution

Journal of the Chemical Society Dalton Transactions ◽

10.1039/dt9940002071 ◽

1994 ◽

pp. 2071 ◽

Cited By ~ 8

Author(s):

Alexander McAuley ◽

Denis G. Fortier ◽

Donal H. Macartney ◽

Todd W. Whitcombe ◽

Chao Xu

Keyword(s):

Crystal Structure ◽

Electron Transfer ◽

Transfer Reactions ◽

Synthesis And Crystal Structure ◽

Electron Transfer Reactions

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Electron transfer reactions on Cs/MoS2(0002) with chlorine, oxygen, and water: High resolution x-ray photoelectron spectroscopy and theoretical study

The Journal of Chemical Physics ◽

10.1063/1.479423 ◽

1999 ◽

Vol 111 (4) ◽

pp. 1636-1649 ◽

Cited By ~ 5

Author(s):

Ken T. Park ◽

James S. Hess ◽

Kamil Klier

Keyword(s):

Electron Transfer ◽

High Resolution ◽

Photoelectron Spectroscopy ◽

Theoretical Study ◽

Transfer Reactions ◽

Electron Transfer Reactions ◽

X Ray

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Role of the bridging ligand in inner-sphere electron-transfer reactions

Accounts of Chemical Research ◽

10.1021/ar50092a002 ◽

1975 ◽

Vol 8 (8) ◽

pp. 264-272 ◽

Cited By ~ 92

Author(s):

Albert Haim

Keyword(s):

Electron Transfer ◽

Transfer Reactions ◽

Electron Transfer Reactions ◽

Bridging Ligand ◽

Inner Sphere

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Kinetic advantage of inner sphere electron transfer reactions of copper(III,II) peptide complexes with cyano complexes of iron, molybdenum and tungsten

Transition Metal Chemistry ◽

10.1007/s11243-019-00356-w ◽

2019 ◽

Vol 45 (3) ◽

pp. 147-157 ◽

Cited By ~ 1

Author(s):

C. Robert Dennis ◽

Eleanor Fourie ◽

Dale W. Margerum ◽

Jannie C. Swarts

Keyword(s):

Electron Transfer ◽

Transfer Reactions ◽

Electron Transfer Reactions ◽

Inner Sphere ◽

Peptide Complexes ◽

Cyano Complexes ◽

And Tungsten

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Application of Molecular Orbital Theory to Electron Transfer Reactions of Metal Complexes in Solution

Comments on Inorganic Chemistry ◽

10.1080/02603598108078083 ◽

1981 ◽

Vol 1 (2) ◽

pp. 85-103 ◽

Cited By ~ 3

Author(s):

Jeremy K. Burdett

Keyword(s):

Electron Transfer ◽

Metal Complexes ◽

Molecular Orbital ◽

Transfer Reactions ◽

Molecular Orbital Theory ◽

Orbital Theory ◽

Electron Transfer Reactions

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ChemInform Abstract: Concerning the Pressure Dependence of Inner-Sphere Electron-Transfer Reactions: the Reduction of cis-Co(en)2C12+by Iron(II) in Dimethylsulphoxide.

Chemischer Informationsdienst ◽

10.1002/chin.198238297 ◽

1982 ◽

Vol 13 (38) ◽

Author(s):

R. VAN ELDIK ◽

H. KELM

Keyword(s):

Electron Transfer ◽

Pressure Dependence ◽

Transfer Reactions ◽

Electron Transfer Reactions ◽

Inner Sphere

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Single vs double bridging in inner-sphere electron transfer reactions

Polyhedron ◽

10.1016/s0277-5387(00)83298-2 ◽

1992 ◽

Vol 11 (5) ◽

pp. 517-521 ◽

Cited By ~ 2

Author(s):

Soontaree Benjarvongkulchai ◽

Roderick D. Cannon

Keyword(s):

Electron Transfer ◽

Transfer Reactions ◽

Electron Transfer Reactions ◽

Inner Sphere

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Quantum theory of inner sphere electron transfer reactions

Australian Journal of Chemistry ◽

10.1071/ch9701287 ◽

1970 ◽

Vol 23 (7) ◽

pp. 1287 ◽

Cited By ~ 4

Author(s):

PP Schmidt

Keyword(s):

Electron Transfer ◽

Transition State ◽

Bond Formation ◽

Transfer Reactions ◽

Reaction Sequence ◽

Electron Transfer Reactions ◽

Bond Forming ◽

Inner Sphere ◽

Franck Condon ◽

Activated Complex

This paper reports a theory of inner sphere electron transfer reactions for which, in addition to the electron transfer, there is bond formation and/or destruction. We assume that steps in the reaction sequence which involve bond synthesis take place in intermediate activated complex states. The problem of inner sphere electron transfer is large and complicated. The theory described applies to one aspect of the problem, namely, the dynamics of simultaneous electron transfer and bond break in the transition state complex. However, we assume the intermediate complex exists in steady state equilibrium with the reactants. The theory developed in this paper reveals features important in the unimolecular decay of the transition state. In particular, the importance of the Franck-Condon restrictions on bond forming and breaking steps is demonstrated.

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