Synthesis, DNA-Binding, Anticancer Evaluation, and Molecular Docking Studies of Bishomoleptic and Trisheteroleptic Ru-Diimine Complexes Bearing 2-(2-Pyridyl)-quinoxaline.

Herein, we report the synthesis and characterization of a bishomoleptic and a trisheteroleptic ruthenium (II) polypyridyl complex, namely, [Ru(bpy)2(2, 2'-pq)](PF6)2 (1) and [Ru(bpy) (phen) (2, 2'-pq)](PF6)2 (2), respectively, where bpy = 2,2'-bipyridine, phen = 1,10-phenanthroline, and 2, 2'-pq = 2-(2'-pyridyl)-quinoxaline. The complexes were characterized by elemental analysis, TGA, H-NMR, FT-IR, UV-Vis, emission spectroscopy, and electrochemistry. Their structures were confirmed by single-crystal X-ray diffraction analysis.

Proton reduction reaction catalyzed by homoleptic nickel bis-1,2-dithiolate complexes: Experimental and theoretical mechanistic investigations.

A series of homoleptic monoanionic nickel dithiolene complexes [Ni(bdt)](NBu), [Ni(tdt)](NBu), and [Ni(mnt)](NBu) containing the ligands benzene-1,2-dithiolate (bdt), toluene-3,4-dithiolate (tdt) and maleonitriledithiolate (mnt), respectively, have been employed as electrocatalysts in the hydrogen evolution reaction with trifluoroacetic acid as proton source in acetonitrile. All complexes were active catalysts with TONs reaching 113, 158 and 6 for [Ni(bdt)](NBu), [Ni(tdt)](NBu), and [Ni(mnt)](NBu), respectively. Faradaic yield for hydrogen evolution reaction reaches 88 % for , which also displays the minimal overpotential requirement value (467 mV) within the series.

Experimental and Theoretical Insight into Electrocatalytic Hydrogen Evolution with Nickel Bis(aryldithiolene) Complexes as Catalysts.

A series of neutral and monoanionic nickel dithiolene complexes with p-methoxyphenyl-substituted 1,2-dithiolene ligands have been prepared and characterized with physicochemical methods. Two of the complexes, the monoanion of the symmetric [Ni{S2C2(Ph-p-OCH3)2}2] (3(-)) with NBu4(+) as a counterion and the neutral asymmetric [Ni{S2C2(Ph)(Ph-p-OCH3)}2] (2), have been structurally characterized by single-crystal X-ray crystallography. All complexes have been employed as proton-reducing catalysts in N,N-dimethylformamide with trifluoroacetic acid as the proton source.