N. Trendafilova et al., Synthesis and vibrational study of platinum(II) and palladium(II) complexes of glyoxilic acid oxime, SPECT ACT A, 55(14), 1999, pp. 2849-2859
Citations number
38
Categorie Soggetti
Spectroscopy /Instrumentation/Analytical Sciences
Journal title
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
New platinum(II) and palladium(II) complexes of glyoxilic acid oxime (gao)
have been prepared and characterised by infrared (4000-150 cm(-1)) and Rama
n (4000-200 cm(-1)) spectra. The gao acts as bidentate ligand bonding throu
gh the oxime nitrogen and carboxyl oxygen atoms to form neutral bis-chelate
square-planar complexes. The lowest energy conformer of the gao ligand (ec
tt) was selected among 16 theoretically possible conformers on the basis of
ab initio calculations at HF/3-21G*, HF/6-31G* and HF/6-311** levels of th
e theory from which structural parameters and conformational stabilities ha
ve been obtained. A complete vibrational assignment of the gao was performe
d for the lowest energy ectt conformer on the basis of ab initio optimised
parameters and normal coordinate analysis calculations (PED). NCA calculati
ons of the complexes studied were also performed. (C) 1999 Elsevier Science
B.V. All rights reserved.