Synthesis and structural characterization of a few thiocarboxylatonickel(II) complexes

Thiobenzoate complexes of Ni(II), [Ni(dppe)(SCOPh)2] (1), [Ni(en)(SCOPh)2] (2), [Ni(opda)(SCOPh)2] (3), [Ni2(SCOPh)4·EtOH] (4) [Ni2(SCOPh)4·CH3CN] (5) [where dppe = bis(diphenylphosphino)ethane; en = ethylenediamine; opda = orthophenylenediamine] were synthesized and characterized structurally by X-ray crystallography. Electronic absorption spectra were recorded for all the complexes and the same has been computed using time dependent density functional theory for a representative compound (1). Bonding between Ni–Ni atoms in the dimeric unit has been confirmed in 4 and 5 on the basis of X-ray structural analyses and magnetic moment measurements. NBO calculations have been carried out to understand the nature of bonding.