Role of the Acceptor in Tuning the Properties of Metal [M(II) = Ni, Pd, Pt] Dithiolato/Dithione (Donor/Acceptor) Second-Order Nonlinear Chromophores: Combined Experimental and Theoretical Studies

摘要: The mixed-ligand complexes [M(II)(Et2dazdt)(mnt)] (M = Ni, 1; Pd, 2; Pt, 3) [Et2dazdt N,N′-diethyl-perhydrodiazepine-2,3-dithione; mnt maleonitrile-2,3-dithiolate] have been prepared and fully characterized. X-ray diffractometric studies on 1–3 (the structure of 1 was already known) show that the crystals are isostructural (triclinic, P–1), two independent molecular entities present in unit cell. These differ orientation ethyl substituents with respect to epta-atomic ring. In C2S2MS2C2 dithiolene core four sulfur atoms define a square-planar coordination environment metal where M–S bond distances involving ligands similar, while C–S C2S2 units exhibit significant difference Et2dazdt (dithione) (dithiolato) ligands. visible region one or moderately strong absorption peaks, having ligand-to-ligand charge-transfer (CT) character some contribution metal, neg...