The electronic spectra of conjugated hydrocarbons
- 23 July 1953
- journal article
- Published by The Royal Society in Proceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences
- Vol. 218 (1135) , 486-506
- https://doi.org/10.1098/rspa.1953.0120
Abstract
A new method for dealing with problems of electronic structure, which has been successfully applied to the ethylene molecule, is adapted to the general treatment of conjugated hydrocarbons. Since the theory underlying this method may be closely related to the method of antisymmetrized molecular orbitals, a fairly exhaustive discussion of this representation is included in the paper. It is shown how the relevant energy matrices may be assessed without too much labour and, in a final section, the theory is followed numerically, though somewhat approximately, for the simplest case of conjugation which is encountered in the allyl radical.Keywords
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