Experimental and theoretical conformational analysis of methylene- and cyanophosphines and their oxides

dc.contributor.author	Vereshchagina Y.
dc.contributor.author	Kataev V.
dc.contributor.author	Ishmaeva E.
dc.contributor.author	Fattakhova G.
dc.contributor.author	Kataev A.
dc.contributor.author	Pudovik A.
dc.date.accessioned	2018-09-17T21:02:21Z
dc.date.available	2018-09-17T21:02:21Z
dc.date.issued	2002
dc.identifier.issn	1042-6507
dc.identifier.uri	https://dspace.kpfu.ru/xmlui/handle/net/134433
dc.description.abstract	The structure of a great number of methylenephosphine oxides 1-11 and cyanophosphines and their oxides 12-18 was studied by semiempirical PM3 and ab initio RHF/6-31G** calculations. Obtained results are in good agreement with experimental data (dipole moments, Kerr effect, IR spectroscopy). In 12-18 the contribution of interactions of CN group or Ph ring with lone pair of electrons (LPE) of the P atom, d-orbitals of the P atom, or P=O group is absent.
dc.relation.ispartofseries	Phosphorus, Sulfur and Silicon and Related Elements
dc.subject	Conformational analysis
dc.subject	Cyanophosphines and their oxides
dc.subject	Methylenephosphine oxides
dc.subject	Quantum chemical calculations
dc.title	Experimental and theoretical conformational analysis of methylene- and cyanophosphines and their oxides
dc.type	Conference Paper
dc.relation.ispartofseries-issue	6-7
dc.relation.ispartofseries-volume	177
dc.collection	Публикации сотрудников КФУ
dc.relation.startpage	1709
dc.source.id	SCOPUS10426507-2002-177-67-SID0036020870

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Коллекция содержит публикации сотрудников Казанского федерального (до 2010 года Казанского государственного) университета, проиндексированные в БД Scopus, начиная с 1970г.