ON A DISTINGUISHED QUALITY OF THE IMB(Q)(K) REBQK PARAMETER RATIOS INTHE MULTIPOLE EXPANSIONS OF THE CRYSTAL-FIELD POTENTIALS/

It is demonstrated that for crystal held potentials having complex par ameterizations characterized by low symmetry and large number of indep endent parameters, the formulas for the ImB(q)(k)/ReBqk ratio, i.e., f or the parameters of the same k and \q\, correspond to a more general superposition model requiring the local metal-ligand symmetry to be v instead of C-infinity v if the scaling factors alone are treated pheno menologically. A formal expression revealing the mutual interplay of b oth the distance and the nonaxial scaling factors has been obtained wh ich allows the ratios ImB(q)(k)/ReBqk to be estimated more adequately. The generalization is substantial indeed; the corresponding number of independent intrinsic parameters of kth degree rises from one to k 1. The distinguished quality of these ratios allows them to be treated in a distinguished way during the fitting of the potentials to experi mental data. The proper fitting is then easier, since the number of in dependent parameters can be reduced. (C) 1995 Academic Press, Inc.