X-ray fluorescent spectroscopy study of the charge state of heteroatoms in organic compounds of third row elements. 6. Realationship between SKα shifts and magnitudes of charges on the sulfur atoms, determined from quantum chemical calculations

G. N. Dolenko, O. Kh Poleshchuk, G. V. Ratovskii, D. D. Chuvashev, A. L. Litvin

    Результат исследований: Материалы для журналаСтатья

    Аннотация

    The dependences of the shifts of the SKα-line on the magnitude of the effective charge on the sulfur atom, found by the electronegativity equalization method, agree well with those in which the charges on the sulfur atoms are calculated by ab initio and CNDO/S quantum chemical methods. The dependences of the shifts of the SKα-line (E=S, P, Cl, Si) on the magnitudes of the effective charge on the E atoms, found by equalization of the electronegativities, can be successfully used to determine the magnitudes of the charge on the E atoms on the same charge magnitude scale.

    Язык оригиналаАнглийский
    Страницы (с-по)2309-2310
    Число страниц2
    ЖурналBulletin of the Academy of Sciences of the USSR Division of Chemical Science
    Том38
    Номер выпуска11
    DOI
    СостояниеОпубликовано - ноя 1989

    ASJC Scopus subject areas

    • Chemistry(all)

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