Neutral heteroleptic complexes of bis(2-halopyridine)dihalocopper(II) family: How the nature of halogen atom affects supramolecular motifs and energies of halogen bonding in solid state?

Abstract

© 2020 Elsevier Masson SAS Heteroleptic complexes [Cu(2-IPy)2 × 2] (2-IPy = 2-iodopyridine, X = Cl (1), Br (2)) were synthesized and characterized by X-ray diffractometry and thermogravimetric analysis (TGA). Analysis of their structures reveals differences of halogen bonding (XB) patterns with those in previously reported [Cu(2-XPy)2Y2] (X and Y = Cl or Br, respectively). DFT calculations were performed for the whole series, enabling estimation of XB energies.