Syntheses, Crystal Structures and Theoretical Calculation of Two Transition Metal Dinuclear Complexes

Two transition metal dinuclear complexes of Mn2(OOCC6H4SSC6H4COO)- (Phen)2(H2O)]n 1 and Cu2(OOCC6H4S)2(Phen)2] 2 were hydrothermally synthesized by the reaction of equivalent metal dichloride with 2,2'-dithiobis(benzoic acid) (H2-DTBB). Structure analysis indicates that each Mn2 ion in 1 is coordinated by one chelate phen ligand, one bridging water molecule and three DTBB ligands forming Mn2 dinuclear units which are further linked into one-dimensional chain by DTBB ligand. Under similar reaction conditions, the 2,2'-dithio- bis(benzoic acid) ligand undergoes thiol reduction to form 2-mercaptobenzoic (H-2-MBA) in 2 where two Cu2 ions are coordinated by phen and MBA ligands only constructing a dinuclear unit.