Study of the electronic structure of organogermanes with extended coordination sphere of germanium |
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Authors: | N V Alekseev S P Knyazev E A Chernyshev I A Abronin |
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Institution: | (1) M. V. Lomonosov Moscow State Academy of Fine Chemical Technology, 86 prosp. Vernadskogo, 117571 Moscow, Russian Federation |
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Abstract: | The spatial and electronic structures of some organogermanes with extended coordination spheres of the metal were calculated
using AMPAC and HYPER CHEM 4.0 program packages. Interatomic distances, bond angles, torsion angles, atomic charges, electron
densities, bond orders, parameters of localized and canonical molecular orbitals,etc. were determined. The nature of the additional intramolecular O→Ge interaction in the molecules of these compounds was considered.
Translated fromIzvestiya Akademii Nauk. Seriya Khimicheskaya, No. 3, pp. 383–387, March, 1998. |
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Keywords: | germanium quantum-chemical calculations electronic structure |
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