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.
Original language | English (US) |
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Pages (from-to) | 493-495 |
Number of pages | 3 |
Journal | Chemical Physics Letters |
Volume | 63 |
Issue number | 3 |
DOIs | |
State | Published - Jun 1 1979 |
ASJC Scopus subject areas
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry