Heteroleptic Cu(I) halide complexes with perchlorinated 1,10-phenanthroline

Heteroleptic Cu(I) complexes with 1,10-octachlorophenanthroline (OCP) [Cu-2(OCP)(2) x(2)] (X = Br (1), I (2)) were prepared and characterized by X-ray diffractometry (XRD) and thermogravimetric analysis (TGA). In the structures of 1 and 2, there are Cl center dot center dot center dot Br and Cl center dot center dot center dot I non-covalent interactions which can be regarded as halogen bonding (XB); according to DFT calculations, their energies are up to 2.1 kcal/mol. (C) 2021 Elsevier B.V. All rights reserved.

Automated summary

Heteroleptic Cu(I) complexes with 1,10-octachlorophenanthroline (OCP) were synthesized and characterized by XRD and TGA. The structures of the complexes showed non-covalent interactions of Cl···Br and Cl···I, which were identified as halogen bonding (XB) with energies up to 2.1 kcal/mol according to DFT calculations.