Synthesis, Structure and vibrational assignment of bis(3-amino-1-phenyl-2-buten-1-onato) nickel(II)

Recently, many studies have been carried out on Cu(II) and Ni(II) β- ketoamine complexes because of the special properties and applications of these complexes [1-3]. Particularly, the Ni(II) complexes bearing N,O mixed ligands have been used for generation of petroleum and natural gas[4] and biological fluids[5, 6]. in the present article the full assignment of the vibrational spectra has been given and the calculated vibrational frequencies are compared with those observed experimentally.The APBO ligand, 3-amino-1-phenyl-2-buten-1-one, was synthesized according to literature [7] and was added by stirring to an alcoholic solution of nickel (II) acetate. The IR spectra were recorded on a Bomem B-154 Fourier Transform spectrophotometer in the region 4000–600 cm-1 by averaging 20 scans with a resolution of 2 cm-1. Geometrical calculations were performed using Gaussian 09 [8] program. The full geometry optimization was performed at hybrid density functional B3LYP using 6-311G basis set. The vibrational frequencies were also calculated at B3LYP/6-311G* level of theory.The results showed that the Ni-O and Ni-N bond lengths in this complex are shorter and therefore stronger than Cu-O and Cu-N in Cu(APBO)2[3] The fundamental wavenumbers were compared with the experimental ones.