Electronic structure of titanium tetrachloride complexes

G. N. Dolenko, O. Kh Poleshchuk, B. A. Gostevskii, I. Latoshinska, M. Ostafin

    Research output: Contribution to journal › Article

    Abstract

    Chlorine Kα-line and 35Cl NQR frequency shifts were measured for a series of titanium tetrachloride complexes. Ab initio calculations of the electronic structure of the corresponding free ligands were performed at the MP2/6-31G* level. The dependences of the obtained results on the experimental and calculated parameters characterizing the donating abilities of the ligands were analyzed. The electron density on the chlorine atoms of the acceptor is mainly determined by the polarization effects, while the electric field gradient at the Cl nuclei is mainly due to the multiplicity of the metal-chlorine bonds.

    Original languageEnglish
    Pages (from-to)744-747
    Number of pages4
    JournalRussian Journal of Coordination Chemistry/Koordinatsionnaya Khimiya
    Volume25
    Issue number10
    Publication statusPublished - Oct 1999

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    Chlorine
    Electronic structure
    Titanium
    Ligands
    Carrier concentration
    Metals
    Electric fields
    Polarization
    Atoms
    titanium tetrachloride

    ASJC Scopus subject areas

    • Inorganic Chemistry

    Cite this

    Dolenko, G. N., Poleshchuk, O. K., Gostevskii, B. A., Latoshinska, I., & Ostafin, M. (1999). Electronic structure of titanium tetrachloride complexes. Russian Journal of Coordination Chemistry/Koordinatsionnaya Khimiya, 25(10), 744-747.

    Electronic structure of titanium tetrachloride complexes. / Dolenko, G. N.; Poleshchuk, O. Kh; Gostevskii, B. A.; Latoshinska, I.; Ostafin, M.

    In: Russian Journal of Coordination Chemistry/Koordinatsionnaya Khimiya, Vol. 25, No. 10, 10.1999, p. 744-747.

    Research output: Contribution to journal › Article

    Dolenko, GN, Poleshchuk, OK, Gostevskii, BA, Latoshinska, I & Ostafin, M 1999, 'Electronic structure of titanium tetrachloride complexes', Russian Journal of Coordination Chemistry/Koordinatsionnaya Khimiya, vol. 25, no. 10, pp. 744-747.
    Dolenko GN, Poleshchuk OK, Gostevskii BA, Latoshinska I, Ostafin M. Electronic structure of titanium tetrachloride complexes. Russian Journal of Coordination Chemistry/Koordinatsionnaya Khimiya. 1999 Oct;25(10):744-747.
    Dolenko, G. N. ; Poleshchuk, O. Kh ; Gostevskii, B. A. ; Latoshinska, I. ; Ostafin, M. / Electronic structure of titanium tetrachloride complexes. In: Russian Journal of Coordination Chemistry/Koordinatsionnaya Khimiya. 1999 ; Vol. 25, No. 10. pp. 744-747.
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    AU - Gostevskii, B. A.

    AU - Latoshinska, I.

    AU - Ostafin, M.

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