Pair-states in α-perylene crystal. A theoretical study

M. D. Cohen*, R. Haberkorn, E. Huler, Z. Ludmer, M. E. Michel-Beyerle, D. Rabinovich, R. Sharon, A. Warshel, V. Yakhot

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

36 Scopus citations

Abstract

The low- and high-temperature emissions from α-perylene are interpreted as originating in, respectively, loosely- and tightly-bound pair complexes. The change-over from one to the other results from thermal expansion and deformation of the lattice and the resulting change in contact distances between the complexing pair and the surrounding molecules. With this model the binding energies, Stokes shifts, lifetimes, and emissive bandwidths associated with the complexes are estimated, as is the activation energy for excimer-exciton migration; the values agree well with the available experimental data.

Original languageEnglish
Pages (from-to)211-216
Number of pages6
JournalChemical Physics
Volume27
Issue number2
DOIs
StatePublished - 15 Jan 1978
Externally publishedYes

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