Mononuclear copper(I) complexes of O-t-butyl-1,1-dithiooxalate and of O-t-butyl-1-perthio-1-thiooxalate

Abstract Described are the syntheses and structures of a phosphonium salt of the anionic ligand O-t -butyl-1,1-dithiooxalate, [PPh 3 Bz][ i -dto t Bu] ([PPh 3 Bz][ 1 ]), and of two Cu(I) complexes of this anion, Cu(PPh 3 ) 2 (η 2 - i -dto t Bu) ( 2 ) and Cu(dmp)(PPh 3 )(η 1 - i -dto t Bu) ( 3 , dmp = 2,9-dimethyl-1,10-phenanthroline). In addition, it was found that the reaction of CuBr 2 with i -dto t Bu − gives a O-t -butyl-1-perthio-1-thiooxalato complex of copper(I), [BzPh 3 P][Cu(Br)(S- i -dto t Bu)] ([BzPh 3 P][ 4 ]), where [S- i -dto t Bu] − is a disulfide-containing anionic ligand. The electronic structure and absorption spectrum of this species were investigated by time dependent DFT methods.