Conformational analysis of 1,3,2-dioxaphospholan-yl and 4,5-benzo-1,3,2-dioxaphosphol-2-yl 2,2,2-trifluoroacetate

Conformational analysis of 1,3,2-dioxaphospholan-2-yl 2,2,2-trifluoroacetate and 4,5-benzo-1,3,2-dioxaphosphol-2-yl 2,2,2-trifluoroacetate was carried out using the method of dipole moments and quantumchemical calculations (DFT B3LYP/6-31G*). Both compounds are found to exist as an axial conformer w...

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Bibliographic Details
Published in:Russian journal of general chemistry 2012-11, Vol.82 (11), p.1777-1780
Main Authors: Ishmaeva, E. A., Vereshchagina, Ya. A., Chachkov, D. V., Alimova, A. Z.
Format: Article
Language:English
Subjects:
Chemistry
Chemistry and Materials Science
Chemistry/Food Science
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Summary:Conformational analysis of 1,3,2-dioxaphospholan-2-yl 2,2,2-trifluoroacetate and 4,5-benzo-1,3,2-dioxaphosphol-2-yl 2,2,2-trifluoroacetate was carried out using the method of dipole moments and quantumchemical calculations (DFT B3LYP/6-31G*). Both compounds are found to exist as an axial conformer with preferably syn arrangement of the carbonyl group and the lone electron pair.
ISSN:1070-3632
1608-3350
DOI:10.1134/S1070363212110059