V. A. Naumov, M. Dakkouri, R. N. Ziatdinova, H. Oberhammer, “The determination of the molecular structure of 2-fluoro-3,5-di-tert-butyl-1,3,2-oxazaphospholene by means of electron diffraction and ab initio calculations”, Mendeleev Commun., 1998, Volume 8, Issue 3,Pages 89

This article is cited in 3 papers

The determination of the molecular structure of 2-fluoro-3,5-di-tert-butyl-1,3,2-oxazaphospholene by means of electron diffraction and ab initio calculations

V. A. Naumov^a, M. Dakkouri^b, R. N. Ziatdinova^a, H. Oberhammer^c

^a A.E. Arbuzov Institute of Organic and Physical Chemistry, FRC Kazan Scientific Center of the Russian Academy of Sciences, Kazan, Russian Federation
^b Department of Electrochemistry, University of Ulm, Ulm, Germany
^c Institut für Physikalische und Theoretische Chemie, Universität Tübingen,Tübingen, Germany

Abstract: The molecular structure of gaseous 2-fluoro-3,5-di-tert-butyl-1,3,2-oxazaphospholene has been determined by electron diffraction and ab initio calculations. The structural analysis has shown that the diheterophospholene ring possesses a P-envelope conformation with axial orientation of the P–F bond which is very long, 1.641(11) Å.

Language: English

DOI: 10.1070/MC1998v008n03ABEH000930