CRYSTAL, MOLECULAR, AND ELECTRONIC-STRUCTURE OF TRANS-BIS[ETHANONE, 1-(2-HYDROXYPHENYL)-OXIMATO]NICKEL(II)

The compound [Ni(apox)(2)], (where apex - denotes the anion of 2-hydro xyacetophenoneoxime, C8H8NO2), was prepared and studied by means of sp ectroscopic (IR, H-1 NMR, UV-Vis) measurements and theoretical calcula tions employing the Huckel method. The structure was determined by X-r ay diffraction studies. The unit cell is monoclinic (space group P2(1) /c) with dimensions a = 7.845(1), b = 9.911(2), c = 19.371(2) Angstrom , beta=94.37(1)degrees and contains four formula units. Huckel investi gations in comparison with the electronic excitation spectrum revealed that the two bands at 2.73 and 2.62 mu m(-1) can be characterised as MLCT, the band at 1.62 mu m(-1) as d-d transition, while the band at 2 .14 cm(-1) has a mixed character of both MLC-IT and d-d transition.