Molecular design of luminescent halogeno-thiocyano-d10 metal complexes with in situ formation of the thiocyanateligand

Abstract

Using cyanide anions and sulfur simple substance as precursors of thiocyanate groups, three desired luminescent halogeno-thiocyano-d¹⁰ metal complexes, namely, [Me₄N][Cu(SCN)Br] (1) with a 1-D to 2-D architecture constructed through C–H⋯Br hydrogen bonds, [Me₄N][Cu(SCN)I] (2) with a 1-D to 3-D framework constructed through C–H⋯I hydrogen bonds, and [Me₄N][Ag₂(SCN)₂Cl] (3) with a special 3-D nanoporous structure constructed by µ-chloride atoms connecting the 2-D neutral ^∞₂[Ag₂(SCN)₂] layers, have been solvothermally synthesized and all exhibit efficient luminescence. The luminescent behavior of the three complexes was illustrated through the density functional theory.