Journal of Molecular Structure, ( ISI ), Volume (937), No (1), Year (2009-8) , Pages (44-49)

Title : ( Experimental and theoretical studies of the triphenyltin(IV) chloride adduct of pyridine-2-ethanol )

Authors: Alireza Salimi , masoud mirzaei shahrabi , Masoud Mirzaei Shahrabi , mohammad chahkandi , A. Azadmeher , Amirreza Azadmeher , Hossein Eshtiagh Hosseini , Hamid R. Khavasi , Mostafa M. Amini ,

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In this paper, we have reported adduct complex structure of triphenyltin(IV) chloride and pyridine-2-ethanol as a novel triorganotin complex, which was prepared by the reaction of Ph3SnCl with pyridine-2-ethanol. The complex was characterized by elemental analysis, mass spectrometry, and IR, 1H, 13C and 119Sn NMR spectroscopies. The molecular structure was determined by single crystal X-ray analysis. Complex adapts trigonal–bipyramidal geometry with trigonality index s = 0.88; the phenyl ubstituents on tin occupying the equatorial positions and the oxygen and chlorine atoms taking up the axial positions. DFT calculations of adduct complex compound of triphenyltin(IV) chloride and pyridine-2-ethanol ligand as a monomeric and dimeric forms at the B3LYP/6-31G (d, p) level using effective core potential with consideration of relativistic effects for stannous have been performed. Theoretical nvestigation of dimeric form of complex, which exists in the crystal structure, shows the stabilization role of intermolecular hydrogen bonding in this system.

Keywords

, Triorganotin complex; X, ray crystal structure; Hydrogen bonding; Theoretical
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@article{paperid:1012778,
author = {Salimi, Alireza and Mirzaei Shahrabi, Masoud and Mirzaei Shahrabi, Masoud and Chahkandi, Mohammad and A. Azadmeher and Amirreza Azadmeher and Eshtiagh Hosseini, Hossein and Hamid R. Khavasi and Mostafa M. Amini},
title = {Experimental and theoretical studies of the triphenyltin(IV) chloride adduct of pyridine-2-ethanol},
journal = {Journal of Molecular Structure},
year = {2009},
volume = {937},
number = {1},
month = {August},
issn = {0022-2860},
pages = {44--49},
numpages = {5},
keywords = {Triorganotin complex; X-ray crystal structure; Hydrogen bonding; Theoretical calculations},
}

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%0 Journal Article
%T Experimental and theoretical studies of the triphenyltin(IV) chloride adduct of pyridine-2-ethanol
%A Salimi, Alireza
%A Mirzaei Shahrabi, Masoud
%A Mirzaei Shahrabi, Masoud
%A Chahkandi, Mohammad
%A A. Azadmeher
%A Amirreza Azadmeher
%A Eshtiagh Hosseini, Hossein
%A Hamid R. Khavasi
%A Mostafa M. Amini
%J Journal of Molecular Structure
%@ 0022-2860
%D 2009

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