Synthesis and crystal structure determination of a one-dimensional end-to-end cyanate-bridged copper(II) compoun

Abstract

The compound [{CuL(µ-NCO)}_n][ClO₄]_n1(L =N, N, N′, N″, N″-pentamethyl-3-azapentane-1, 5-diamine) was synthesized and characterized. The crystal structure was determined by single-crystal X-ray analysis: orthorhombic, space group P2₁nb, a= 6.534(2), b= 10.945(3), c= 22.683(4)Å, Z = 4. The magnetic behaviour was recorded between 290 and 2 K, showing antiferromagnetic coupling. The magnetic susceptibility data were fitted to the expression for a homogeneous S=½ linear chain, giving the parameters 2J=–1.26 cm^–1and g= 2.10. Polycrystalline powder ESR spectra recorded at 4, 77, 180 and 298 K remained unchanged, showing axial distortion with g_∥= 2.21 and g_⊥= 2.06. The single-crystal ESR spectrum was also recorded at room temperature: g₁= 2.059, g₂= 2.055, g₃= 2.21 3.