Conformational Analysis of Dibutylphosphorylacetic Acid N,N-Dibutylamide in Solution

dc.contributor.author	Kuznetsova A.A.
dc.contributor.author	Chachkov D.V.
dc.contributor.author	Tcarkova K.V.
dc.contributor.author	Bondarenko N.A.
dc.contributor.author	Vereshchagina Y.A.
dc.date.accessioned	2022-02-09T20:36:04Z
dc.date.available	2022-02-09T20:36:04Z
dc.date.issued	2021
dc.identifier.issn	1070-3632
dc.identifier.uri	https://dspace.kpfu.ru/xmlui/handle/net/169312
dc.description.abstract	Abstract: Polarity of N,N-dibutylamide of dibutylphosphorylacetic acid has been determined and its conformational analysis has been carried out by the methods of dipole moments and quantum chemistry [DFT B3PW91/6-311++G(df,p)+CPCM]. In solution, this acetamide exists as conformational equilibrium of several forms with staggered gauche- and trans-orientations of the substituents relative to the P=O bond, in which intramolecular contacts are formed involving hydrogen atoms of butyl substituents at the nitrogen atom and the oxygen atom of the P=O group.
dc.relation.ispartofseries	Russian Journal of General Chemistry
dc.subject	carbamoylmethylphosphine oxides
dc.subject	conformational analysis
dc.subject	DFT calculations
dc.subject	dipole moments
dc.title	Conformational Analysis of Dibutylphosphorylacetic Acid N,N-Dibutylamide in Solution
dc.type	Article
dc.relation.ispartofseries-issue	12
dc.relation.ispartofseries-volume	91
dc.collection	Публикации сотрудников КФУ
dc.relation.startpage	2581
dc.source.id	SCOPUS10703632-2021-91-12-SID85123003597

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