The electronic structure of heteroaromatic molecules. Part 2. Five-membered rings
- 1 January 1989
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Journal of the Chemical Society, Perkin Transactions 2
- No. 3,p. 263-267
- https://doi.org/10.1039/p29890000263
Abstract
Spin-coupled theory is applied to the π electrons of the heteroaromatic molecules furan, pyrrole, thiophene, and thiazole. As is the case for the six-membered rings considered in the companion paper, the electronic structure is described well in terms of localized but non-orthogonal orbitals. The characteristic stability of aromatic molecules results from the mode of spin coupling rather than from delocalized orbitals. The photoelectron spectra of these molecules are also considered briefly.Keywords
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