The Crystal Structure and Magnetic Susceptibility of Tetrakis-(μ2-phenylacetato-O,O′)-bis(caprolactam-O)copper(II)

Abstract

Tetrakis-(μ2-phenylacetato-O,O′)-bis(caprolactam-O)copper(II) (1) was synthesized and characterized by X-ray crystallography, magnetic susceptibility and FT-IR spectroscopy. The title compound (1) crystallized in the monoclinic space group P21/n with unit cell parameters a = 18.2242(4) A, b = 10.0994(2) A, c = 23.0696(5) A, β = 101.117(2)°; V = 4166.37(15) A3; Z = 4. The molecular structure of (1) consists of a copper dimer bridged by four phenylacetate ligands in the paddlewheel geometry with caprolactam coordinated in both axial sites. The copper dimers of (1) are organized into one-dimensional columns by N–H···O interactions between bound caprolactam ligands. Magnetic susceptibility studies indicate antiferromagnetic coupling between the Cu+2 ions with a singlet ground-state and triplet excited-state separated by |2J = 319(1) cm−1 |. Tetrakis-(μ2-phenylacetato-O,O′)-bis(caprolactam-O)copper(II) (1) was synthesized and characterized by X-ray crystallography, magnetic susceptibility and FT-IR spectroscopy producing paddlewheel copper dimers of (1) organized into columns by N–H···O interactions between bound caprolactam ligands.