Abstract
The spatial and electronic structures of molecules with three substituents at the germanium atom (tricoordinated germanium) were calculated by the DFT method (Gaussian-98 program package, B3LYP functional, 6-311G(d,p) basis set). The main characteristics of Ge-X bonds in these molecules were determined by NBO and AIM procedures. It is shown that Ge-X are weak, “intermediate” type bonds. The bond energies were calculated.
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Original Russian Text Copyright © 2008 by N. V. Alekseev and E. A. Chernyshev
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Translated from Zhurnal Strukturnoi Khimii, Vol. 49, No. 5, pp. 861–870, September–October, 2008.
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Alekseev, N.V., Chernyshev, E.A. Quantum-chemical study of germanium—substituent bonds in tricoordinated germanium compounds. J Struct Chem 49, 828–836 (2008). https://doi.org/10.1007/s10947-008-0145-x
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DOI: https://doi.org/10.1007/s10947-008-0145-x