Intermolecular Tl⋯H–C anagostic interactions in luminescent pyridyl functionalized thallium(i) dithiocarbamates

Abstract

Crystal structures of novel pyridyl functionalised [Tl(L)]_∞ (L = (N-benzyl-N-methylpyridyl) dithiocarbamate(L1) 1, bis(N-methylpyridyl) dithiocarbamate(L2) 2, (N-methyl(1,4-benzodioxane-6-yl)-N-methylpyridyl)dithiocarbamate(L3) 3, (N-ferrocenyl-N-methylpyridyl) dithiocarbamate(L4) 4) complexes revealed rare intermolecular C–H⋯Tl anagostic and C–S⋯Tl interactions forming a six-membered chelate ring about the metal center, which have been assessed by DFT calculations. The strong thallophilic bonding is responsible for the strong luminescent characteristics of the complexes in the solid phase.