(α-DT-TTF)2[Au(mnt)2]: a weakly disordered molecular spin-ladder system

Inorg Chem. 2013 May 6;52(9):5300-6. doi: 10.1021/ic400246y. Epub 2013 Apr 5.

Abstract

The synthesis and characterization of (α-DT-TTF)2[Au(mnt)2] is reported. The magnetic properties of this new salt show that it is still a rare example of an organic spin-ladder. (α-DT-TTF)2[Au(mnt)2] shares the same ladder structure of the DT-TTF and ETT-TTF analogues, and its room temperature conductivity is ∼2 S/cm. Despite the observed donor orientation disorder associated with the thiophenic sulfur atoms, the intermolecular interactions between donor units, calculated using the extended Hückel approximation and a double-ξ basis set, show that the interaction values do not depend on the configuration of the sulfur atom on the thiophenic ring. The insensitivity of the spin-ladder magnetic properties to the donor molecular disorder in (α-DT-TTF)2[Au(mnt)2] is a direct consequence of the negligible contribution of the disordered thiophenic sulfur atom to the HOMO. In the related donor ETT-TTF, this contribution is significant and destroys the magnetic interactions, and no spin-ladder is observed. This compound not only enlarges the number of organic spin-ladder systems in this series of closely related compounds but also provides an interesting example of weakly disordered molecular spin-ladder system.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Crystallography, X-Ray
  • Electric Conductivity
  • Heterocyclic Compounds / chemistry*
  • Models, Molecular
  • Organogold Compounds / chemistry*
  • Sulfhydryl Compounds / chemistry*
  • Thiophenes / chemistry*

Substances

  • Heterocyclic Compounds
  • Organogold Compounds
  • Sulfhydryl Compounds
  • Thiophenes
  • maleinitriledithiolate
  • tetrathiafulvalene