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Bond exciton model of alkenes and diene polymers
Author(s) -
Partridge R. H.
Publication year - 1972
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560060113
Subject(s) - alkene , diene , polymer , exciton , chemistry , molecule , chemical physics , alkane , photochemistry , materials science , computational chemistry , physics , hydrocarbon , organic chemistry , condensed matter physics , catalysis , natural rubber
Abstract The bond exciton model, developed originally for alkane molecules, is applied here to a range of alkene molecules and diene polymers. The necessary empirical parameters are derived by comparison of the theory with the vacuum‐ultraviolet absorption spectra of ethylene and a number of alkyl‐substituted ethylenes, and these values are used to predict the energies, intensities and polarizations of the lower energy allowed valence transitions of fine diene polymers. Despite its simplicity the bond exciton model is found to give results in quite reasonable agreement with the available experimental data, and suggests that considerable excitation energy transfer may occur along the main chains of certain diene polymers.