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Nature of the coordination bond in the GeCl4-trimethylamine complex
Authors:V P Feshin  E V Feshina
Institution:1. Institute of Technical Chemistry, Ural Branch, Russian Academy of Sciences, ul. Akademika Koroleva 3, Perm, 614013, Russia
Abstract:Quantum-chemical computations were performed for the GeCl4 ← N(CH3)3 system using the MP2/6-31G(d) method with total optimization of its geometry and at different fixed Ge…N distances (from 2.0 to 4.5 Å). The coordination bond in the complex results from the involvement of different AOs of Ge and N atoms (along with other atoms in the molecule) in the formation of a number of MOs. The number of these MOs increases with decreasing Ge…N distance, thus reducing the total energy of a molecule and stabilizing it. The coordination bond and the covalent bond are of the same nature. When the distance between the components of the system is reduced, the partial negative charges of N, C, and all Cl atoms increase; the partial positive charges of Ge and H increase as well.
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