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 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.
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Davydova, E.I., Timoshkin, A.Y., Sevast'yanova, T.N. et al. Quantum-Chemical Study of Adducts of Silicon Halides with Nitrogen-Containing Donors: V. Adducts with 2,2'-Bipyridine and 1,10-Phenanthroline. Russian Journal of General Chemistry 73, 1742–1750 (2003). https://doi.org/10.1023/B:RUGC.0000018651.55510.95
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DOI: https://doi.org/10.1023/B:RUGC.0000018651.55510.95