Abstract
The air-stable di-copper(I) complexes Cu 2L(SCN) 2 ( 1) and Cu 2L(SCN) 1.86I 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 Cu 2L(SCN) 2 complex, and these were consistent with the experimental data for the complex.
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