Temperature dependence of atomic coordinates is precisely determined for an iron (II) complex, [Fe(ptz)6](BF4)2 (ptz = propyltetrazole), by means of synchrotron-radiation (SR) x-ray powder diffraction measurements. The spin state of the Fe2+ ions is known to change from high-spin (HS; S = 2) to low-spin (LS; S = 0) with a decrease in temperature to below Tc ≈ 130 K. We have found that the spin state transition accompanies a significant contraction of the Fe-N4 bond distance from ≈2.20 Å (HS) to ≈2.00 Å (LS).
- Rietveld structural analysis
- Spin crossover
- Synchrotron-radiation X-ray powder diffraction
ASJC Scopus subject areas
- Physics and Astronomy(all)