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- Title
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.
- Authors
Naumov, V. A.; Tafipol'skii, M. A.; Zaitdinova, R. N.; Dokkouri, M.
- 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.
- Subjects
PHOSPHORUS; MOLECULAR structure; ATOMS; NONMETALS; QUANTUM chemistry; PHYSICAL &; theoretical chemistry
- Publication
Russian Journal of General Chemistry, 2003, Vol 73, Issue 10, p1497
- ISSN
1070-3632
- Publication type
Article
- DOI
10.1023/B:RUGC.0000016009.37629.61