Abstract
A cyanido bridged Zn(II)-Ag(I) bimetallic complex (I) has been prepared and characterized by IR spectroscopy, thermal analysis, X-ray crystallography (CIF file CCDC no. 884016) and DFT calculations. Thermal analysis shows that the composition of the compound is consistent with the proposed stoichiometry, i.e., [Zn(diamine)(2){Ag(CN)(2)}(2)] center dot H2O. The crystal structure of complex I consists of two independent molecules; a trinuclear molecule, [Zn(Dmen)(2){Ag(CN)(2)}(2)] and an ionic species, [Zn(Dmen)(2)-(H2O)(2)]{Ag(CN)(2)}(2); the overall formula being [Zn(Dmen)(2){Ag(CN)(2)}(2)][Zn(Dmen)(2)(H2O)(2)]{Ag(CN)(2)}(2) (I) (Dmen = N,N'-dimethylethylenediamine). The structures of I and two of its analogues, [Zn(Dmen)(2){Ag(CN)(2)}(2)](2) center dot 2H(2)O (II) and {[Zn(Dmen)(2){Ag(CN)(2)}][Ag(CN)(2)]}(2) center dot 2H(2)O (III) were predicted by DFT calculations. The DFT results reveal that the structure I is more stable in comparison to the calculated structures, II and III. The X-ray structure of I shows that the complex is also stabilized by the argentophilic interactions. The Ag center dot center dot center dot Ag interaction energy calculated at the MP2 level of theory is -4.02 kcal mol(-1).