Jahn-Teller effect induced by non-degenerate vibrational modes in cumulenes

L. S. Cederbaum; W. Domcke; H. Köppel

doi:10.1016/0301-0104(78)87081-5

Jahn-Teller effect induced by non-degenerate vibrational modes in cumulenes

L. S. Cederbaum, W. Domcke, H. Köppel

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53 Scopus citations

Abstract

The theory of the Jahn-Teller effect induced by non-degenerate vibrational modes is briefly discussed and applied to calculate photoelectron spectra of allene and pentatetraene. Good agreement with the observed spectra is obtained. In both cases it is found that the Jahn-Teller effect is caused by the torsional mode and the antisymmetrical CC stretching mode. The Jahn-Teller effect helps to understand the existence of strong vibronic coupling effects in the related molecules ethylene and butatriene, where no Jahn-Teller effect can be present.

Original language	English
Pages (from-to)	319-326
Number of pages	8
Journal	Chemical Physics
Volume	33
Issue number	3
DOIs	https://doi.org/10.1016/0301-0104(78)87081-5
State	Published - 1 Oct 1978
Externally published	Yes

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title = "Jahn-Teller effect induced by non-degenerate vibrational modes in cumulenes",

abstract = "The theory of the Jahn-Teller effect induced by non-degenerate vibrational modes is briefly discussed and applied to calculate photoelectron spectra of allene and pentatetraene. Good agreement with the observed spectra is obtained. In both cases it is found that the Jahn-Teller effect is caused by the torsional mode and the antisymmetrical CC stretching mode. The Jahn-Teller effect helps to understand the existence of strong vibronic coupling effects in the related molecules ethylene and butatriene, where no Jahn-Teller effect can be present.",

author = "Cederbaum, {L. S.} and W. Domcke and H. K{\"o}ppel",

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T1 - Jahn-Teller effect induced by non-degenerate vibrational modes in cumulenes

AU - Cederbaum, L. S.

AU - Domcke, W.

AU - Köppel, H.

PY - 1978/10/1

Y1 - 1978/10/1

N2 - The theory of the Jahn-Teller effect induced by non-degenerate vibrational modes is briefly discussed and applied to calculate photoelectron spectra of allene and pentatetraene. Good agreement with the observed spectra is obtained. In both cases it is found that the Jahn-Teller effect is caused by the torsional mode and the antisymmetrical CC stretching mode. The Jahn-Teller effect helps to understand the existence of strong vibronic coupling effects in the related molecules ethylene and butatriene, where no Jahn-Teller effect can be present.

AB - The theory of the Jahn-Teller effect induced by non-degenerate vibrational modes is briefly discussed and applied to calculate photoelectron spectra of allene and pentatetraene. Good agreement with the observed spectra is obtained. In both cases it is found that the Jahn-Teller effect is caused by the torsional mode and the antisymmetrical CC stretching mode. The Jahn-Teller effect helps to understand the existence of strong vibronic coupling effects in the related molecules ethylene and butatriene, where no Jahn-Teller effect can be present.

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U2 - 10.1016/0301-0104(78)87081-5

DO - 10.1016/0301-0104(78)87081-5

M3 - Article

AN - SCOPUS:0001731215

SN - 0301-0104

VL - 33

SP - 319

EP - 326

JO - Chemical Physics

JF - Chemical Physics

IS - 3

ER -

Jahn-Teller effect induced by non-degenerate vibrational modes in cumulenes

Abstract

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