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Molecular Structure of 1,3,2-Diheterophospholenes in the Gas Phase. Effect of the Nature of Atoms in the Nearest Environment of the Phosphorous Atom on the P-X (X = F, Cl) Bond Length

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Abstract

Molecular parameters of 2-chloro-5-methyl-1,3,2-oxazaphospholene were repeatedly determined invoking nomempirical quantum-chemical calculations. The molecule has a P-envelope conformation with an axial P-Cl bond. Analysis of the molecular structures of 1,3,2-diheterophospholenes, studied experimentally and predicted by quantum-chemical calculations at different levels of theory is performed.

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Authors and Affiliations

  1. Arbuzov Institute of Organic and Physical Chemistry, Kazan Research Center, Russian Academy of Sciences, Kazan, Tatarstan, Russia

    V. A. Naumov, M. A. Tafipol'skii, R. N. Zaitdinova & M. Dokkouri

  2. Chemical Institute, Technical University of Munich, Germany University of Ulm, Germany

    V. A. Naumov, M. A. Tafipol'skii, R. N. Zaitdinova & M. Dokkouri

Authors
  1. V. A. Naumov
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  2. M. A. Tafipol'skii
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  3. R. N. Zaitdinova
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  4. M. Dokkouri
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Naumov, V.A., Tafipol'skii, M.A., Zaitdinova, R.N. et al. Molecular Structure of 1,3,2-Diheterophospholenes in the Gas Phase. Effect of the Nature of Atoms in the Nearest Environment of the Phosphorous Atom on the P-X (X = F, Cl) Bond Length. Russian Journal of General Chemistry 73, 1497–1502 (2003). https://doi.org/10.1023/B:RUGC.0000016009.37629.61

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  • DOI: https://doi.org/10.1023/B:RUGC.0000016009.37629.61

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