VALENCE BOND THEORY OF ORGANIC CHARGE-TRANSFER SALTS.

Z. G. Soos; S. Mazumdar; T. T.P. Cheung

VALENCE BOND THEORY OF ORGANIC CHARGE-TRANSFER SALTS.

Z. G. Soos
, S. Mazumdar
, T. T.P. Cheung

Research output: Contribution to conference › Paper › peer-review

Abstract

A valence bond (VB) description is introduced for organic charge-transfer (CT) salts based on mixed stacks . . . D** plus **yA** minus **yD** plus **yA** minus **y . . . of donors (D) and acceptors (A). Extrapolating exact results for finite rings shows that the magnetic gap DELTA E//m is finite for gamma less than gamma //c equals 0. 68 plus or minus 0. 01 and vanishes for gamma greater than gamma //c as expected in the paramagnetic ionic limit gamma equals 1. The small finite DELTA E//m in the ″ionic″ TMPD-TCNQ complex indicates incomplete CT, in agreement with the resonant Raman result of gamma similar 0. 7. The extension of diagrammatic VB techniques to partly-filled segregated ion-radical stacks like . . . A** minus **yA** minus **yA** minus **yA** minus **y or D** plus **yD** plus **yD** plus **yD** plus **y . . . is discussed.

Original language	English (US)
Pages	93-102
Number of pages	10
State	Published - 1978
Externally published	Yes
Event	Proc of the Int Symp on Org Solid State Chem, 5th, pt B - Brandeis Univ, Waltham, Mass Duration: Jun 13 1978 → Jun 16 1978

Other

Other	Proc of the Int Symp on Org Solid State Chem, 5th, pt B
City	Brandeis Univ, Waltham, Mass
Period	6/13/78 → 6/16/78

ASJC Scopus subject areas

General Engineering

Cite this

@conference{b30d57a537894789b8797ad76f756516,

title = "VALENCE BOND THEORY OF ORGANIC CHARGE-TRANSFER SALTS.",

abstract = "A valence bond (VB) description is introduced for organic charge-transfer (CT) salts based on mixed stacks . . . D** plus **yA** minus **yD** plus **yA** minus **y . . . of donors (D) and acceptors (A). Extrapolating exact results for finite rings shows that the magnetic gap DELTA E//m is finite for gamma less than gamma //c equals 0. 68 plus or minus 0. 01 and vanishes for gamma greater than gamma //c as expected in the paramagnetic ionic limit gamma equals 1. The small finite DELTA E//m in the ″ionic″ TMPD-TCNQ complex indicates incomplete CT, in agreement with the resonant Raman result of gamma similar 0. 7. The extension of diagrammatic VB techniques to partly-filled segregated ion-radical stacks like . . . A** minus **yA** minus **yA** minus **yA** minus **y or D** plus **yD** plus **yD** plus **yD** plus **y . . . is discussed.",

author = "Soos, \{Z. G.\} and S. Mazumdar and Cheung, \{T. T.P.\}",

year = "1978",

language = "English (US)",

pages = "93--102",

note = "Proc of the Int Symp on Org Solid State Chem, 5th, pt B ; Conference date: 13-06-1978 Through 16-06-1978",

}

TY - CONF

T1 - VALENCE BOND THEORY OF ORGANIC CHARGE-TRANSFER SALTS.

AU - Soos, Z. G.

AU - Mazumdar, S.

AU - Cheung, T. T.P.

PY - 1978

Y1 - 1978

N2 - A valence bond (VB) description is introduced for organic charge-transfer (CT) salts based on mixed stacks . . . D** plus **yA** minus **yD** plus **yA** minus **y . . . of donors (D) and acceptors (A). Extrapolating exact results for finite rings shows that the magnetic gap DELTA E//m is finite for gamma less than gamma //c equals 0. 68 plus or minus 0. 01 and vanishes for gamma greater than gamma //c as expected in the paramagnetic ionic limit gamma equals 1. The small finite DELTA E//m in the ″ionic″ TMPD-TCNQ complex indicates incomplete CT, in agreement with the resonant Raman result of gamma similar 0. 7. The extension of diagrammatic VB techniques to partly-filled segregated ion-radical stacks like . . . A** minus **yA** minus **yA** minus **yA** minus **y or D** plus **yD** plus **yD** plus **yD** plus **y . . . is discussed.

AB - A valence bond (VB) description is introduced for organic charge-transfer (CT) salts based on mixed stacks . . . D** plus **yA** minus **yD** plus **yA** minus **y . . . of donors (D) and acceptors (A). Extrapolating exact results for finite rings shows that the magnetic gap DELTA E//m is finite for gamma less than gamma //c equals 0. 68 plus or minus 0. 01 and vanishes for gamma greater than gamma //c as expected in the paramagnetic ionic limit gamma equals 1. The small finite DELTA E//m in the ″ionic″ TMPD-TCNQ complex indicates incomplete CT, in agreement with the resonant Raman result of gamma similar 0. 7. The extension of diagrammatic VB techniques to partly-filled segregated ion-radical stacks like . . . A** minus **yA** minus **yA** minus **yA** minus **y or D** plus **yD** plus **yD** plus **yD** plus **y . . . is discussed.

UR - https://www.scopus.com/pages/publications/0018063019

UR - https://www.scopus.com/pages/publications/0018063019#tab=citedBy

M3 - Paper

AN - SCOPUS:0018063019

SP - 93

EP - 102

T2 - Proc of the Int Symp on Org Solid State Chem, 5th, pt B

Y2 - 13 June 1978 through 16 June 1978

ER -

VALENCE BOND THEORY OF ORGANIC CHARGE-TRANSFER SALTS.

Abstract

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