Vibrational force field for t r a n s polyene chains of intermediate conjugation lengths
- 1 August 1986
- journal article
- letter
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 85 (3) , 1707-1708
- https://doi.org/10.1063/1.451168
Abstract
The in‐plane force field of trans polyene chains, which had previously been derived from vibrational frequency data on short polyenes and poyacetylene, gave frequencies lower than the experimental ones when it was applied to polyene chains of intermediate lengths. However, a better agreement between the calculated and experimental frequencies is obtainable solely by reducing interaction force constants between C–C stretching coordinates according to the chain length dependence of bond–bond polarizability.Keywords
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