Email this article A quantum chemical study of aluminum–carbon bonds in three-coordinate aluminum compounds
- Authors: Alekseev N.V.1
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Affiliations:
- State Research Institute for Chemistry and Technology of Organoelement Compounds
- Issue: Vol 58, No 3 (2017)
- Pages: 433-440
- Section: Article
- URL: https://journal-vniispk.ru/0022-4766/article/view/161232
- DOI: https://doi.org/10.1134/S0022476617030027
- ID: 161232
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Abstract
The spatial and electronic structures of three-coordinate aluminum molecules with Al–C bonds are calculated using the GAMESS-Firefly program package at DFT and HF levels of theory. By NBO and AIM methods the main characteristics of Al–C bonds in these molecules are determined. It is shown that by their topological characteristics the Al–C bonds can be characterized as weakened intermediate bonds close to the bonds between closed shell atoms.
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About the authors
N. V. Alekseev
State Research Institute for Chemistry and Technology of Organoelement Compounds
Author for correspondence.
Email: nalekseev1@rambler.ru
Russian Federation, Moscow
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