Dipole moments and conformational analysis of tris(2-pyridyl)phosphine and tris(2-pyridyl)phosphine chalcogenides. Experimental and theoretical study
Ya A Vereshchagina
1
,
D.V. Chachkov
2
,
Alsu Z Alimova
1
,
Nina K. Gusarova
3
,
Eleonora A Ishmaeva
1
,
2
Joint Supercomputer Center of the Russian Academy of Sciences (Kazan Branch), Lobachevsky Str., 2/31, Kazan 420111, Russian Federation
|
Publication type: Journal Article
Publication date: 2014-11-01
scimago Q2
wos Q2
SJR: 0.628
CiteScore: 8.0
Impact factor: 4.7
ISSN: 00222860, 18728014
Organic Chemistry
Inorganic Chemistry
Spectroscopy
Analytical Chemistry
Abstract
Conformational analysis of tris(2-pyridyl)phosphine and tris(2-pyridyl)phosphine chalcogenides was carried out by the method of dipole moments and density functional theory calculations. The conformations of the examined compounds fit into the overall conformational picture for the P III and P IV compounds: namely, these phosphines have non-eclipsed gauche- and trans -forms with propeller arrangement of the pyridyl radicals about the P = Y bond (Y = lone pair, O, S, Se).
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Vereshchagina Ya. A. et al. Dipole moments and conformational analysis of tris(2-pyridyl)phosphine and tris(2-pyridyl)phosphine chalcogenides. Experimental and theoretical study // Journal of Molecular Structure. 2014. Vol. 1076. pp. 285-290.
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Vereshchagina Ya. A., Chachkov D., Alimova A. Z., Malysheva S. A., Gusarova N. K., Ishmaeva E. A., Trofimov B. A. Dipole moments and conformational analysis of tris(2-pyridyl)phosphine and tris(2-pyridyl)phosphine chalcogenides. Experimental and theoretical study // Journal of Molecular Structure. 2014. Vol. 1076. pp. 285-290.
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TY - JOUR
DO - 10.1016/j.molstruc.2014.07.081
UR - https://doi.org/10.1016/j.molstruc.2014.07.081
TI - Dipole moments and conformational analysis of tris(2-pyridyl)phosphine and tris(2-pyridyl)phosphine chalcogenides. Experimental and theoretical study
T2 - Journal of Molecular Structure
AU - Vereshchagina, Ya A
AU - Chachkov, D.V.
AU - Alimova, Alsu Z
AU - Malysheva, Svetlana A.
AU - Gusarova, Nina K.
AU - Ishmaeva, Eleonora A
AU - Trofimov, B. A.
PY - 2014
DA - 2014/11/01
PB - Elsevier
SP - 285-290
VL - 1076
SN - 0022-2860
SN - 1872-8014
ER -
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@article{2014_Vereshchagina,
author = {Ya A Vereshchagina and D.V. Chachkov and Alsu Z Alimova and Svetlana A. Malysheva and Nina K. Gusarova and Eleonora A Ishmaeva and B. A. Trofimov},
title = {Dipole moments and conformational analysis of tris(2-pyridyl)phosphine and tris(2-pyridyl)phosphine chalcogenides. Experimental and theoretical study},
journal = {Journal of Molecular Structure},
year = {2014},
volume = {1076},
publisher = {Elsevier},
month = {nov},
url = {https://doi.org/10.1016/j.molstruc.2014.07.081},
pages = {285--290},
doi = {10.1016/j.molstruc.2014.07.081}
}