Published September 1, 1952
| public
Journal Article
Small-Ring Compounds. X. Molecular Orbital Calculations of Properties of Some Small-Ring Hydrocarbons and Free Radicals
Abstract
The molecular orbital (LCAO) method has been used to calculate the electron delocalization energies, bond orders and freevalence indexes of some cyclic small-ring hydrocarbons and free radicals including a number of cyclobutadiene derivatives. It is concluded that the (4n + 2) π-electron rule of aromatic stability can only be justified by the simple molecular orbital treatment for monocyclic conjugated polyolefins.
Additional Information
© 1952 American Chemical Society. Received March 17, 1952. Supported in part by the program of research of the United States Atomic Energy Commission under Contract AT(30-1)-905. We are much indebted to Professor W.G. McMillan, Jr., for advice on methods of calculation and to Professors C.A. Coulson and G. W. Wheland for helpful suggestions.Additional details
- Eprint ID
- 61436
- Resolver ID
- CaltechAUTHORS:20151022-140102084
- AT(30-1)-905
- Atomic Energy Commission
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2015-10-26Created from EPrint's datestamp field
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2021-11-10Created from EPrint's last_modified field