Intramolecular interactions in aromatic series: IV.* Molecular orbital structure of some aromatic derivatives of VIA group

S. A. Krupoder, G. N. Dolenko, B. G. Zykov, G. G. Furin, N. F. Salakhutdinov, O. Kh Poleshchuk

    Результат исследования: Материалы для журналаСтатья

    Аннотация

    A study was carried out by means of X-ray emission and photoelectron [He(I)] spectroscopy on the electronic structure of pentafluoro derivatives of anisole, its thio and seleno analogs and sulfides of C6F5SX type [X = CHF2, CF(CF3)2]. Photoelectron spectra were measured and interpreted proceeding from calculations by PM3 method, π-fluoroeffect, and relative intensities of He(I) bands. The results of investigation show that the upper occupied levels virtually contain no contributions from molecular orbitals of oxygen, sulfur, and selenium. On replacing the methyl group with perfluorinated alkyls the efficiency of interaction between the unshared electron pairs of these elements with the π-system of the benzene ring is reduced. The replacement of sulfur and selenium for oxygen results in negligible shift of the bands corresponding to π-MO indicating the weak effect on the electronic structure of the related compounds at substituting one chalcogen for another.

    Язык оригиналаАнглийский
    Страницы (с... по...)553-559
    Количество страниц7
    ЖурналRussian Journal of Organic Chemistry
    Том36
    Номер выпуска4
    Статус публикацииОпубликовано - 1 апр 2000

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    ASJC Scopus subject areas

    • Organic Chemistry

    Цитировать

    Krupoder, S. A., Dolenko, G. N., Zykov, B. G., Furin, G. G., Salakhutdinov, N. F., & Poleshchuk, O. K. (2000). Intramolecular interactions in aromatic series: IV.* Molecular orbital structure of some aromatic derivatives of VIA group. Russian Journal of Organic Chemistry, 36(4), 553-559.