Crystal structure and magnetic behavior within a new molecular magnet containing [Ni(dmit)2]− monoanion

Abstract

ABSTRACTIn this study, a new metal-dithiolene charge transfer salt with a formula of [3,4-Cl,Cl-Bz-1-APy][Ni(dmit)2] (1; 3,4-Cl,Cl-Bz-1-APy = 1-N-(3′,4′-dichlorobenzyl)pyridinium, dmit = l,3-dithiole-2-thione-4,5-dithiolate) was synthesized and characterized. The crystal of 1-Me2CO belongs to triclinic space group P-1, the [Ni(dmit)2]− anions and 3,4-Cl,Cl-Bz-1-APy+ cations form mixed column stacks with alternating anionic (A) and cationic (C) in the …ACAC… fashion, along the crystallographic a-axis direction. The [Ni(dmit)2]− anions formed a uniform one-dimensional chain via lateral-to-lateral S…S contacts. From the view of crystal structure, an uniform S = ½ Heisenberg linear chain model could be chosen for the fits of the temperature dependent magnetic susceptibilities of 1, but the attempt on this fit is failed. The simple Curie-Weiss law was used for the fits of magnetic susceptibility of 1. The fitted Curie constant is larger than the spin-only value expected for an S = ½ system.