| Autor: |
Davydova, E. I., Timoshkin, A. Yu., Sevast'yanova, T. N., Suvorov, A. V., Schaefer, H. F. |
| Předmět: |
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| Zdroj: |
Russian Journal of General Chemistry; Nov2003, Vol. 73 Issue 11, p1742-1750, 9p |
| Abstrakt: |
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 SiCl4·2,2'-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. [ABSTRACT FROM AUTHOR] |
| Databáze: |
Complementary Index |
| Externí odkaz: |
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