Zusammenfassung
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 Ph(3)SnCl with
pyridine-2-ethanol. The complex was characterized by elemental analysis,
mass spectrometry, and IR, (1)H, (13)C and (119)Sn NMR spectroscopies.
The molecular structure was determined by single crystal X-ray analysis.
Complex adapts trigonal-bipyramidal geometry with trigonality index tau
= 0.88; the phenyl substituents 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 investigation of dimeric form of complex,
which exists in the crystal structure. shows the stabilization role of
intermolecular hydrogen bonding in this system. (C) 2009 Elsevier B.V.
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Nutzer