Spin-transition-like behavior on one side in a nitroxide-copper(II)-nitroxide triad system

Inorg Chem. 2010 Nov 1;49(21):10144-7. doi: 10.1021/ic101536q.

Abstract

The ground spin-state of [Cu(phpyNO)(2)(H(2)O)(2)](BF(4))(2) was switched between S(total) = 1/2 and 3/2 across 175 K. On warming, the space group was changed from P2(1)2(1)2(1) to C222(1) in a single-crystal-to-single-crystal manner, and the transient structure could be monitored by means of the crystallographic analysis. The copper-radical exchange coupling changed from 2J/k(B) = -463(3) to +312(6) K with rather small Cu-O-N-C(2py) twisting deformation on one side, while practically no distortion occurred on the other.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Copper / chemistry*
  • Crystallography, X-Ray
  • Models, Molecular
  • Molecular Structure
  • Nitrogen Oxides / chemistry*
  • Organometallic Compounds / chemical synthesis
  • Organometallic Compounds / chemistry*
  • Temperature

Substances

  • Nitrogen Oxides
  • Organometallic Compounds
  • Copper