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Anisotropic Electrical Conductivity of a Single-Crystalline Oxo-Bridged Cr4IIIMo2VI Heterometallic Complex.

Jin Young KooJongwon OhGyeongeun HyunHee Cheul ChoiIntek SongSeok Min Yoon
Published in: Inorganic chemistry (2021)
A new oxo-bridged chromium-molybdenum heterometallic complex, O-CrMoHC ([Cr4(MoO4)2O2(OAc)4(DMF)4]·2DMF), was synthesized by using a simple solvothermal reaction. In this complex, the octahedrally coordinated Cr(III) and tetrahedrally coordinated Mo(VI) metal centers are bridged by oxo ligands. O-CrMoHC has in-plane π-conjugation systems, which are interconnected by noncoordinating DMF molecules. The crystals show anisotropic conductivity with respect to the crystal planes, and theoretical calculations were used to study their origins. The O-CrMoHC single crystals exhibited that a relatively high electrical conductivity with an average value of 5.37 × 10-7 S/cm was observed along the [01-1] direction, but the current level was very low along the [100] direction. This is the first report of anisotropic conductivity observed in the single crystal of a monomeric heterometallic complex.
Keyphrases
  • room temperature
  • finite element
  • density functional theory
  • ionic liquid
  • molecular dynamics simulations