Zero-Field Splitting in Phosphorescent Triplet States of Aromatic Hydrocarbons. II. Polyphenyl Benzenes
- 15 November 1967
- journal article
- conference paper
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 47 (10) , 3999-4001
- https://doi.org/10.1063/1.1701565
Abstract
The zero‐field splitting parameters D, E, and D* are calculated theoretically for the lowest triplet states of five polyphenyl benzenes. The agreement between theory and experiment is good. The calculated values for D* are uniformly too high by about 5%‐10%. The calculations indicate that the ring‐ring bond in biphenyl has double‐bond character in its lowest triplet state and, therefore, the molecule is planar in its phosphorescent state.Keywords
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