title: Geometric control of ground state multiplicity in a copper(I) bis(verdazyl) complex.
abstract: A copper(I) complex of a 3-(6'-isopropylpyridyl)-substituted verdazyl was synthesized and characterized by X-ray crystallography and magnetic susceptibility. The complex crystallizes in the monoclinic space group C2/c with cell dimensions a = 22.544 A, b = 11.576 A, c = 17.157 A, β = 123.907°, V = 3716.2 A(3). The coordination geometry at copper is distorted tetrahedral, with the two ligand planes separated by 75°. Magnetic susceptibility measurements indicate that the ground state of the diradical is a triplet at this geometry. Fitting to a simple Heisenberg Hamiltonian (H = -JS(1)·S(2)) gave J = 47(1) cm(-1). The triplet ground state results from exchange mediated by the copper ion; in particular, the direction of the distortion from tetrahedral geometry appears to be essential to maintain the high-spin ground state.
authors: Department of Chemistry, San José State University, San José, California 95192, USA. dbrook@science.sjsu.edu
authors: David J R
authors: DJ
authors: Brook
authors: Gordon T
authors: GT
authors: Yee
authors: Mike
authors: M
authors: Hundley
authors: David
authors: D
authors: Rogow
authors: Janice
authors: J
authors: Wong
authors: Khanh
authors: K
authors: Van-Tu