Experimental and Theoretical Conformational Analysis of Tris(4-methylphenyl)phosphine and Its Chalcogenides

Autor:	R. R. Ismagilova, Natal’ya A. Belogorlova, Svetlana F. Malysheva, A. A. Kuznetsova, Denis V. Chachkov, Ya. A. Vereshchagina
Rok vydání:	2020
Předmět:	Tris 010405 organic chemistry Gauche effect Organic Chemistry Oxide 01 natural sciences 0104 chemical sciences chemistry.chemical_compound Dipole Crystallography chemistry Selenide Phosphorus atom Phosphine
Zdroj:	Russian Journal of Organic Chemistry. 56:2098-2103
ISSN:	1608-3393 1070-4280
DOI:	10.1134/s1070428020120088
Popis:	Conformational analysis of tris(4-methylphenyl)phosphine and its oxide, sulfide, and selenide has been performed by the dipole moment method and DFT quantum chemical calculations at the B3PW91/ 6-311++G(df,p) level of theory. The title compounds have been found to exist in solution as a single symmetrical conformer with gauche,gauche,gauche orientation of the substituents on the phosphorus atom with respect to the P=X bond (X = LEP, O, S, Se).
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::b466494067ecbca733d2be5152a3f210 https://doi.org/10.1134/s1070428020120088 Zobrazit plný text záznamu Plný text ve formátu PDF Plný text ve formátu HTML
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