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- W3197262582 abstract "On the basis of an analysis of the canonical and localized molecular orbitals of indole and isoindole, calculated in the SCF and CNDO/2 approximations, as well as an x-ray crystallographic investigation of 2-methyl-isoindole, a comparison of the electronic structure of the positional isomers was made. The 10π-electronic system of isoindole is more integral than for indole: isoindole is a single 10π-electronic system with an appreciable localization of the bonds in the carbocyclic portion of the bicycle; the electronic structure of indole can be represented in a first approximation as the aggregate of three weakly interacting π-subsystems: the benzene ring, the double bond between the α- and β-carbon atoms, and the free electron pair of the nitrogen atom." @default.
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- W3197262582 date "1985-05-07" @default.
- W3197262582 modified "2023-10-16" @default.
- W3197262582 title "ChemInform Abstract: COMPARATIVE ANALYSIS OF THE ELECTRONIC STRUCTURE OF POSITIONAL ISOMERS: INDOLE-ISOINDOLE" @default.
- W3197262582 doi "https://doi.org/10.1002/chin.198518063" @default.
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