title: [BDTA]2[Cu(mnt)2]: an almost perfect one-dimensional magnetic material.
abstract: [BDTA]2[Cu(mnt)2] (BDTA = benzo-1,3,2-dithiazolyl, mnt = maleonitriledithiolate) was crystallized in the space group P with an inversion center on Cu giving a stacked structure with each metal complex anion sandwiched by two cations. Short intermolecular S...S contacts give rise to a one-dimensional chain lateral to the stacking axis. Variable-temperature magnetic susceptibility and EPR measurements indicate that the salt behaves as an ideal one-dimensional Heisenberg antiferromagnetic material from 2 K < or = T < or = 300 K, with a coupling constant of J/k(B) = 16-17 K; the very low temperature magnetic properties are in quantitative agreement with the predictions of quantum field theory. DFT calculations are consistent with the formation of a one-dimensional magnetic chain with interstack interactions mediated by the BDTA counterions.
authors.affiliation: School of Chemistry, University of Edinburgh, West Mains Road, Edinburgh EH9 3JJ, UK.
authors.forename: Sarah S
authors.initials: SS
authors.lastname: Staniland
authors.forename: Wataru
authors.initials: W
authors.lastname: Fujita
authors.forename: Yoshikatsu
authors.initials: Y
authors.lastname: Umezono
authors.forename: Kunio
authors.initials: K
authors.lastname: Awaga
authors.forename: Philip J
authors.initials: PJ
authors.lastname: Camp
authors.forename: Stewart J
authors.initials: SJ
authors.lastname: Clark
authors.forename: Neil
authors.initials: N
authors.lastname: Robertson