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Investigation of the electronic structure of 4-chlorophenylisoxazole and 4-chloroisoxazoline by NQR spectroscopy and quantum-chemical calculations

✍ Scribed by O. Kh. Poleshchuk; B. Nogaj; J. N. Latosińska; J. Koput; T. A. Babushkina; S. D. Sokolov

Publisher
John Wiley and Sons
Year
1994
Tongue
English
Weight
442 KB
Volume
32
Category
Article
ISSN
0749-1581

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✦ Synopsis

Abstract

^35^Cl NQR spectra of substituted phenylisoxazoles and isoxazolines were analysed. For certain molecules the atom charges and orbital populations were calculated with the MINDO/3 method. It was proved that a chlorine atom at position 4 on an isoxazole ring transmits the influence from the phenyl ring at position 3 to the phenyl ring at position 5 on the isoxazole ring through the system of π‐bonds.

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