Bulletin of the Chemical Society of Japan
Online ISSN : 1348-0634
Print ISSN : 0009-2673
ISSN-L : 0009-2673
Studies on the Conjugated Double Bond Systems. VIII. On the Electronic Structures of Furan, Pyrrole and Thiophen
Saburo NagakuraToichiro Hosoya
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1952 Volume 25 Issue 3 Pages 179-182

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Abstract

Electronic structures of furan, pyrrole and thiophene were investigated by the use of the molecular orbital method. And values of energy levels, resonance energies, π-electron densities and bond orders were calculated. As the result of these calculations, it was found that nonbonding electrons of hetero-atoms migrate into carbon atoms and the degree of these electron migrations increases in the order of furan, pyrrole and thiophene.

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