Magnetic circular dichroism spectra and electronic spectra of polyquinocycloalkanes
- 1 January 1982
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics
- Vol. 78 (3) , 481-489
- https://doi.org/10.1039/f29827800481
Abstract
The magnetic circular dichroism spectra of tris-(4-oxo-3,5-di-t-butylcyclohexa-3,5-dienylidene)cyclopropane (1), 10-[bis(3,5-di-t-butyl-4-oxo-2,5-cyclohexadien-1-ylidene)-cyclopropylidene]anthrone (2) and bis-(10-oxoanthracene-9-ylidine)cyclopropanone (3) and the linear dichroism spectrum of 2 have been measured. The electronic spectra of 1, 2 and 3 have been assigned by comparing the experimental results for the signs of Faraday A and B terms, dipole strengths and transition energies with those computed using the Pariser–Parr–Pople SCF-π-MO CI method with variable bond-length.Keywords
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