Molecular design of luminescent halogeno-thiocyano-d(10) metal complexes with in situ formation of the thiocyanate ligand

Using cyanide anions and sulfur simple substance as precursors of thiocyanate groups, three desired luminescent halogeno-thiocyano-d(10) metal complexes, namely, [Me4N][Cu(SCN)Br] (1) with a 1-D to 2-D architecture constructed through C-H center dot center dot center dot Br hydrogen bonds, [Me4N][Cu(SCN)I] (2) with a 1-D to 3-D framework constructed through C-H center dot center dot center dot I hydrogen bonds, and [Me4N][Ag-2(SCN)(2)Cl] (3) with a special 3-D nanoporous structure constructed by mu-chloride atoms connecting the 2-D neutral N-2[Ag-2(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.