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Electronic Structure, Molecular Conformation and Reactivity of Benzonorbornadiene Systems

✍ Scribed by Edwin Haselbach; Michel Rossi

Publisher
John Wiley and Sons
Year
1976
Tongue
German
Weight
599 KB
Volume
59
Category
Article
ISSN
0018-019X

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✦ Synopsis

Abstract

From the photoelectron spectra of benzonorbornadiene (1) and its 9‐isopropylidene derivative (2) the energy and an approximate wave function for the highest occupied orbitals is obtained. With these results the differential reactivity of the systems in Diels‐Alder additions with ‘inverse electron demand’ is discussed on the basis of frontier orbitals. For the ground state of 2 similar non‐bonded interactions between the isopropylidene unit and the double bond or the benzene ring are indicated. Conformational equilibria in 9‐aza derivatives of 1 are discussed in view of these findings.

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