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

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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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  • Публикации сотрудников КФУ Scopus [24551]
    Коллекция содержит публикации сотрудников Казанского федерального (до 2010 года Казанского государственного) университета, проиндексированные в БД Scopus, начиная с 1970г.

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