Electronic structure of titanium tetrachloride complexes

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

    Research output: Contribution to journalArticlepeer-review


    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
    Issue number10
    Publication statusPublished - Oct 1999

    ASJC Scopus subject areas

    • Inorganic Chemistry

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