Abstract
A Ni(II) complex of an acyclic pentadentate Schiff base was prepared by
template condensation of two equivalents of 2-acetylpyridine with one
equivalent of bis(3-aminopropyl)amine in the presence of Ni(II) in
methanol. The resulting complex, NiL33(MeOH)(ClO4)2 center dot
CH3OH, was characterized by X-ray crystallography, elemental analysis,
and IR spectrophotometry. The X-ray crystallographic structure revealed
a six-coordinate, distorted octahedral geometry in which the sixth
coordination being achieved by a methanol molecule. A theoretical study
at DFT (B3LYP) level using standard 6-31G* basis set for ligand atoms
and LanL2DZ for metal showed that the experimentally determined
structure of the cation is about 8-20 kcal mol-1 more stable than its
geometrical isomers.
Users
Please
log in to take part in the discussion (add own reviews or comments).