Synthesis, characterization and crystal structures of di-three-coordinated copper(I) macrocyclic Schiff base complexes

The air-stable di-copper(I) complexes Cu2L(SCN)(2) (1) and Cu2L(SCN)(1.86)I-0.14 (2) of the N-4 macrocyclic Schiff base ligand L have been synthesized and characterized by IR, elemental analysis, UV-Vis and crystal structure determination. X-ray analysis of the complexes shows an approximate distorted trigonal planar geometry around each copper(I) ion that is constructed from one N-bonded thiocyanate (or iodide in 2) group and two imine nitrogen atoms. DFT calculations were used to determine the structural features of the Cu2L(SCN)(2) complex, and these were consistent with the experimental data for the complex. (C) 2011 Elsevier Ltd. All rights reserved