Russian Journal of General Chemistry

, Volume 75, Issue 8, pp 1216–1220 | Cite as

Electronic and Steric Structure of ClAsX2 Molecules: Evaluation by 35Cl NQR and Quantum-Chemical Calculations

  • V. P. Feshin
  • E. V. Feshina
  • L. I. Zhizhina


Molecules of the series ClAsX2 [X = C2H5, N(CH3)2, OCH3] were studied by RHF/6-31G(d) and MP2/6-31G(d) calculations. Their 35Cl NQR frequencies were calculated from the populations of the 3p constituents of the chlorine valence p orbitals. The features of interaction of the geminal atoms in the molecules and the effect of this interaction on the electron distribution in them were analyzed.


Chlorine Electron Distribution Steric Structure Geminal Atom Chlorine Valence 
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Copyright information

© MAIK "Nauka/Interperiodica" 2005

Authors and Affiliations

  • V. P. Feshin
    • 1
  • E. V. Feshina
    • 1
  • L. I. Zhizhina
    • 1
  1. 1.Institute of Technical Chemistry, Ural DivisionRussian Academy of SciencesPermRussia

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