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.
ASJC Scopus subject areas
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry