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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 language | English |
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Pages (from-to) | 1742-1750 |
Number of pages | 9 |
Journal | Russian Journal of General Chemistry |
Volume | 73 |
Issue number | 11 |
DOIs | |
State | Published - Nov 2003 |
ID: 17373744