Unusual magnetic property and theoretical analysis of 1D molecular solid [1-(4′-iodobenzyl)-4-aminopyridinium][Ni(mnt) 2] (mnt 2− = maleonitriledithiolate)

Abstract

A novel molecular solid, [1-(4′-iodobenzyl)-4-aminopyridinium][Ni(mnt) 2] (mnt 2− = maleonitriledithiolate), [IBzPyNH 2][Ni(mnt) 2] ( 1), has been structurally characterized and its magnetic properties investigated. The Ni ( mnt ) 2 - anions and [IBzPyNH 2] + cations of 1 form completely segregated uniform stacking columns with the Ni⋯Ni distances 4.001 Å in the Ni ( mnt ) 2 - stacking column through intermolecular Ni⋯S, S⋯S, Ni⋯Ni or π⋯π interactions. The temperature dependences of the magnetic susceptibilities of 1 reveal that 1 exhibits antiferromagnetic interaction ( J = −13.8 cm −1) above 100 K and ferromagnetic interaction ( J = 5.5 cm −1) below 100 K. The weak ferromagnetism in low temperature may result from spin canting.