Novel mixed-metal cubane-type {Mo<inf>3</inf>NiS<inf>4</inf>} and {Mo<inf>3</inf>PdS<inf>4</inf>} clusters coordinated with 2,2′-bipyridine type ligands

Abstract

© 2018 Elsevier Ltd New cuboidal cluster complexes of general formula [Mo3S4(M′X)Cl3L3]0/+(M′ = Ni0, Pd0; L = dnbpy – 4,4′-dinonyl-2,2′-bipyridine or dbbpy – 4,4′-di-tert-butyl-2,2′-bipyridine; X = tu, Cl) were synthesized by reactions of trinuclear precursors [Mo3S4Cl3L3]+with Ni(COD)2(COD = 1,5-cyclooctadiene) or Pd2(dba)3·CHCl3(dba = dibenzylideneacetone) in the presence of thiourea (tu) in good yields. The complexes were characterized by elemental analysis, IR,1H NMR and ESI-MS techniques. Crystal structures of [Mo3S4(Nitu)Cl3(dbbpy)3]Cl·tu (1a), [Mo3S4(Nitu)Cl3(dbbpy)3]Cl (1b) and [Mo3S4(Pdtu)Cl3(dbbpy)3]Cl (2) were determined by X-ray analysis. The DFT calculations of the electronic structure of [Mo3S4(Pd′X)Cl3(bpy)3]0/+(X = Cl or tu) were carried out.