Electronic structure analysis of 4-chlorophenylisoxazoles and 4-chloroisoxazolines by35Cl NQR spectra and quantum chemical calculations

O. Kh Poleshchuk, Ya Koput, T. A. Babushkina, S. D. Sokolov

    Research output: Contribution to journalArticle

    Abstract

    Electronic structure of substituted phenylisoxazoles and substituted isoxazolines is examined by35Cl NQR and MINDO/3 calculations. It is shown that the chlorine atom in the 4-position of the isoxazole ring serves to transmit the influence from the phenyl ring in the 3-position to that in the 5-position. The influence is transferred via both the σ- and π-bond systems.

    Original languageEnglish
    Pages (from-to)201-208
    Number of pages8
    JournalJournal of Structural Chemistry
    Volume35
    Issue number2
    DOIs
    Publication statusPublished - Mar 1994

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    Isoxazoles
    Chlorine
    Electronic structure
    electronic structure
    Atoms
    rings
    chlorine
    atoms

    ASJC Scopus subject areas

    • Physical and Theoretical Chemistry
    • Inorganic Chemistry
    • Materials Chemistry

    Cite this

    Electronic structure analysis of 4-chlorophenylisoxazoles and 4-chloroisoxazolines by35Cl NQR spectra and quantum chemical calculations. / Poleshchuk, O. Kh; Koput, Ya; Babushkina, T. A.; Sokolov, S. D.

    In: Journal of Structural Chemistry, Vol. 35, No. 2, 03.1994, p. 201-208.

    Research output: Contribution to journalArticle

    Poleshchuk, O. Kh ; Koput, Ya ; Babushkina, T. A. ; Sokolov, S. D. / Electronic structure analysis of 4-chlorophenylisoxazoles and 4-chloroisoxazolines by35Cl NQR spectra and quantum chemical calculations. In: Journal of Structural Chemistry. 1994 ; Vol. 35, No. 2. pp. 201-208.
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