The conformations of 1,1,2,2-tetracyanoethane and 1,2-dichlorotetracyanoethane: a molecular orbital, dipole moment and kerr effect study

Yap-Seng Chong; H. H. Huang; David A. Winkler

doi:10.1016/0022-2860(88)87023-6

The conformations of 1,1,2,2-tetracyanoethane and 1,2-dichlorotetracyanoethane: a molecular orbital, dipole moment and kerr effect study

Yap-Seng Chong, H. H. Huang, David A. Winkler

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Abstract

The conformations of 1,1,2,2-tetracyanoethane and 1,2-dichlorotetracyanoethane are analysed in terms of their trans:gauche population distributions and the dihedral angle of the gauche rotamer using the semi-empirical MO program AMPAC. The results are compared with experimental information derived from dipole moment and Kerr effect measurements.

Original language	English
Pages (from-to)	291-298
Number of pages	8
Journal	Journal of Molecular Structure
Volume	172
Issue number	C
DOIs	https://doi.org/10.1016/0022-2860(88)87023-6
Publication status	Published - 1988
Externally published	Yes

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title = "The conformations of 1,1,2,2-tetracyanoethane and 1,2-dichlorotetracyanoethane: a molecular orbital, dipole moment and kerr effect study",

abstract = "The conformations of 1,1,2,2-tetracyanoethane and 1,2-dichlorotetracyanoethane are analysed in terms of their trans:gauche population distributions and the dihedral angle of the gauche rotamer using the semi-empirical MO program AMPAC. The results are compared with experimental information derived from dipole moment and Kerr effect measurements. ",

author = "Yap-Seng Chong and Huang, \{H. H.\} and Winkler, \{David A.\}",

year = "1988",

doi = "10.1016/0022-2860(88)87023-6",

language = "English",

volume = "172",

pages = "291--298",

journal = "Journal of Molecular Structure",

issn = "0022-2860",

publisher = "Elsevier BV",

number = "C",

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T1 - The conformations of 1,1,2,2-tetracyanoethane and 1,2-dichlorotetracyanoethane

T2 - a molecular orbital, dipole moment and kerr effect study

AU - Chong, Yap-Seng

AU - Huang, H. H.

AU - Winkler, David A.

PY - 1988

Y1 - 1988

N2 - The conformations of 1,1,2,2-tetracyanoethane and 1,2-dichlorotetracyanoethane are analysed in terms of their trans:gauche population distributions and the dihedral angle of the gauche rotamer using the semi-empirical MO program AMPAC. The results are compared with experimental information derived from dipole moment and Kerr effect measurements.

AB - The conformations of 1,1,2,2-tetracyanoethane and 1,2-dichlorotetracyanoethane are analysed in terms of their trans:gauche population distributions and the dihedral angle of the gauche rotamer using the semi-empirical MO program AMPAC. The results are compared with experimental information derived from dipole moment and Kerr effect measurements.

UR - https://www.scopus.com/pages/publications/0012896014

U2 - 10.1016/0022-2860(88)87023-6

DO - 10.1016/0022-2860(88)87023-6

M3 - Article

SN - 0022-2860

VL - 172

SP - 291

EP - 298

JO - Journal of Molecular Structure

JF - Journal of Molecular Structure

IS - C

ER -

The conformations of 1,1,2,2-tetracyanoethane and 1,2-dichlorotetracyanoethane: a molecular orbital, dipole moment and kerr effect study

Abstract

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