The low frequency normal modes of trans, trans-1,3,5,7-octatetraene

Bruce S. Hudson; John R. Andrews

doi:10.1016/0009-2614(79)80697-1

The low frequency normal modes of trans, trans-1,3,5,7-octatetraene

Bruce S. Hudson, John R. Andrews

Department of Chemistry

Research output: Contribution to journal › Article

22 Scopus citations

Abstract

The low frequency normal mode eigenvectors of trans, trans-1,3,5,7-octatetraene were calculated using the CFF-π procedure of Warshel and Karplus. The vibronically active mode observed at 109 cm^-1 is identified as an in-plane bend of the entire chain with b_u symmetry.

Original language	English (US)
Pages (from-to)	493-495
Number of pages	3
Journal	Chemical Physics Letters
Volume	63
Issue number	3
DOIs	https://doi.org/10.1016/0009-2614(79)80697-1
State	Published - Jun 1 1979

ASJC Scopus subject areas

Physics and Astronomy(all)
Physical and Theoretical Chemistry

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abstract = "The low frequency normal mode eigenvectors of trans, trans-1,3,5,7-octatetraene were calculated using the CFF-π procedure of Warshel and Karplus. The vibronically active mode observed at 109 cm-1 is identified as an in-plane bend of the entire chain with bu symmetry.",

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AB - The low frequency normal mode eigenvectors of trans, trans-1,3,5,7-octatetraene were calculated using the CFF-π procedure of Warshel and Karplus. The vibronically active mode observed at 109 cm-1 is identified as an in-plane bend of the entire chain with bu symmetry.

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