Comparative quantum-chemical investigation of binuclear complexes of Tc and Mo

Comparative calculations of [Tc2Cl8]n- (n = 2, 3, 4) clusters of point symmetry D4h and D4d and [Mo2Cl8]m- (m = 4,5) clusters of point symmetry D4h are carried out in approximation of the Xα-scattered waves SCF method. Calculations are carried out with M-M bond length variation in order to estimate its effects on electron structure characteristics. Correlations between formal multiplicity of M-M- bond, calculated electron characteristics of clusters and position of minima on potential curves do not find. The suggestion is made on proportionality of M-M and M-L bonds lengths with regard to dimension of the cell involved cations. (author)