Email this article Quantum chemical calculation of the structure, dipole moment, and polarizability of O-isopropyl methylphosphonofluoridate in the gas phase
- Authors: Lebedev A.V.1
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Affiliations:
- Closed Joint Stock Company “SPETSPRIBOR”
- Issue: Vol 57, No 6 (2016)
- Pages: 1057-1067
- Section: Article
- URL: https://journal-vniispk.ru/0022-4766/article/view/160739
- DOI: https://doi.org/10.1134/S0022476616060019
- ID: 160739
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Abstract
Six conformers of O-isopropyl methylphosphonofluoridate (IMPF) are revealed. Their geometric parameters, dipole moments, and polarizabilities are calculated. The applicability of methods chosen for the phosphoryl compounds not distinguished by conformational diversity is evaluated for the calculation of the structure and mentioned properties of IMPF conformer. The features of the IMPF structure and stereochemistry are considered.
About the authors
A. V. Lebedev
Closed Joint Stock Company “SPETSPRIBOR”
Author for correspondence.
Email: 7lebedev@gmail.com
Russian Federation, Tula
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