Group theoretical classification of electronic states in mixed-valence complexes

Veaceslav P. Coropceanu; Kosmas Prassides

doi:10.1016/S0009-2614(98)00298-X

Group theoretical classification of electronic states in mixed-valence complexes

Veaceslav P. Coropceanu, Kosmas Prassides

Research output: Contribution to journal › Article › peer-review

6 Scopus citations

Abstract

A group theoretical method is developed to treat the ground and excited electronic states of multielectronic polynuclear mixed-valence systems of the general form dⁿ-...-dⁿ-dⁿ⁺¹-...-dⁿ⁺¹ and fⁿ-...-fⁿ-fⁿ⁺¹-...-fⁿ⁺¹. Effects arising from electronic degeneracy, spin-orbit interactions and reduced site symmetry are explicitly taken into account. The versatility of the technique is demonstrated by applying it to a series of trimeric mixed-valence clusters.

Original language	English (US)
Pages (from-to)	53-59
Number of pages	7
Journal	Chemical Physics Letters
Volume	289
Issue number	1-2
DOIs	https://doi.org/10.1016/S0009-2614(98)00298-X
State	Published - Jun 5 1998
Externally published	Yes

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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@article{9a43d31c3a254efab7ad5c015e06fba2,

title = "Group theoretical classification of electronic states in mixed-valence complexes",

abstract = "A group theoretical method is developed to treat the ground and excited electronic states of multielectronic polynuclear mixed-valence systems of the general form dn-...-dn-dn+1-...-dn+1 and fn-...-fn-fn+1-...-fn+1. Effects arising from electronic degeneracy, spin-orbit interactions and reduced site symmetry are explicitly taken into account. The versatility of the technique is demonstrated by applying it to a series of trimeric mixed-valence clusters.",

author = "Coropceanu, \{Veaceslav P.\} and Kosmas Prassides",

note = "Funding Information: KP thanks the Leverhulme Trust for a 1997–98 Research Fellowship. We also thank the Royal Society for the award of a NATO Postdoctoral Fellowship to CVP.",

year = "1998",

month = jun,

day = "5",

doi = "10.1016/S0009-2614(98)00298-X",

language = "English (US)",

volume = "289",

pages = "53--59",

journal = "Chemical Physics Letters",

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TY - JOUR

T1 - Group theoretical classification of electronic states in mixed-valence complexes

AU - Coropceanu, Veaceslav P.

AU - Prassides, Kosmas

N1 - Funding Information: KP thanks the Leverhulme Trust for a 1997–98 Research Fellowship. We also thank the Royal Society for the award of a NATO Postdoctoral Fellowship to CVP.

PY - 1998/6/5

Y1 - 1998/6/5

N2 - A group theoretical method is developed to treat the ground and excited electronic states of multielectronic polynuclear mixed-valence systems of the general form dn-...-dn-dn+1-...-dn+1 and fn-...-fn-fn+1-...-fn+1. Effects arising from electronic degeneracy, spin-orbit interactions and reduced site symmetry are explicitly taken into account. The versatility of the technique is demonstrated by applying it to a series of trimeric mixed-valence clusters.

AB - A group theoretical method is developed to treat the ground and excited electronic states of multielectronic polynuclear mixed-valence systems of the general form dn-...-dn-dn+1-...-dn+1 and fn-...-fn-fn+1-...-fn+1. Effects arising from electronic degeneracy, spin-orbit interactions and reduced site symmetry are explicitly taken into account. The versatility of the technique is demonstrated by applying it to a series of trimeric mixed-valence clusters.

UR - https://www.scopus.com/pages/publications/0038356010

UR - https://www.scopus.com/inward/citedby.url?scp=0038356010&partnerID=8YFLogxK

U2 - 10.1016/S0009-2614(98)00298-X

DO - 10.1016/S0009-2614(98)00298-X

M3 - Article

AN - SCOPUS:0038356010

SN - 0009-2614

VL - 289

SP - 53

EP - 59

JO - Chemical Physics Letters

JF - Chemical Physics Letters

IS - 1-2

ER -

Group theoretical classification of electronic states in mixed-valence complexes

Abstract

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