INVESTIGATION OF THE STRUCTURE AND ENERGETICS OF BETA-DIKETONATES .1.VIBRATIONAL FREQUENCIES AND AMPLITUDES OF MOLECULES OF BIS-DIPIVALOYLMETHANATOCOPPER(II)

A solution of the vibrational problem for the molecule Cu(DPM)2 has be en obtained in which the vibrations of the tert-butyl group are consid ered in addition to those of the cyclic fragment. The normal vibration frequencies of the Cu(DPM)2 molecule have been calculated. The parall el amplitudes of vibrations and the values for the corrections in the perpendicular shifts in the internuclear distances of the 88 terms of the molecule necessary to interpret the electronographic data have bee n calculated. The influence of the values of the force constant f(Cu-O ), the form of the central atom and substituents in the ligand on the vibration amplitude of the term Cu-O are considered. An analysis of th e effect of the value of the force constant f(Cu-O) on the theoretical spectrum has been carried out. Frequencies have been identified in wh ich the basic contribution is provided by the Cu-O stretching vibratio n.