Quantum-chemical study of adducts of silicon halides with nitrogen-containing donors: V. Adducts with 2,2′-bipyridine and 1,10-phenanthroline

E. I. Davydova, A. Yu Timoshkin, T. N. Sevast'yanova, A. V. Suvorov, H. F. Schaefer

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Abstract

Structural and thermodynamic characteristics of adducts of silicon tetrahalides with 2,2′-bipyridine and 1,10-phenanthroline were calculated by the DFT B3LYP method. The enthalpies of sublimation of SiCl 4·2,2′-bipyridine, reconstruction energies for donor and acceptor fragments, and energies of Si-N bonds in the complexes under consideration were estimated using the data obtained. These characteristics were compared with similar data for pyridine complexes. The chelate effect on the energy of Si-N bonds upon replacement of pyridine by 2,2′-bipyridine and 1,10-phenanthroline was discussed. The significant reconstruction of the bidentate donor upon the complex formation levels off the chelate effect.

Original languageEnglish
Pages (from-to)1742-1750
Number of pages9
JournalRussian Journal of General Chemistry
Volume73
Issue number11
DOIs
Publication statusPublished - Nov 2003

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Scopus subject areas

  • Chemistry(all)

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