A C–S cross-coupling observed in situ reaction of 2-mercaptobenzothiazole with CuI

Two new Cu(I) complexes, [CuI(MBT)2]2 (1) and [CuI(BBTM)]2 (2) (BBTM = 2,2′-thiobis(benzothiazole)) were solvothermally synthesized in a one pot reaction with 2-mercaptobenzothiazole (MBT) as ligand. An unexpected C–S cross-coupling ligand reaction in situ was observed in complex 2, and a hypothetical reaction mechanism was elucidated for the formation of complexes 1 and 2. The single-crystal X-ray structural analysis reveal that each Cu(I) ion in complex 1 is located at the core of a slightly distorted tetrahedron and coordinated by one neighboring I− and three S atoms of two MBT ligands. Two copper(I) are bridged by two S atoms of two MBT ligands. While in complex 2, two Cu(I) ions were bridged by two I- ions and coordinated respectively by two N atoms from BBTM ligand and exhibit a distorted tetrahedral geometry. Complexes 1 and 2 show good fluorescence properties and high thermal stabilities.