Table 1.

Fe K-edge energies and pre-edge integrated areas

XAS featureDeoxy-HbAquamet-HbOxy-HbHmet Hb[Fe(TPP)][Fe(TPP)(Py)2][Fe(TPP)(THF)2][Fe(TPP)(ImH)2][Fe(TPP)(ImH)2]Cl
Rising edge, eV7,117.57,121.77,121.37,121.57,115.47,121.07,117.97,120.77,122.2
Pre-edge, eV7,112.47,113.47,113.07,113.07,111.57,112.27,112.47,112.17,112.8
Integrated area§12.29.110.69.04.85.14.14.06.5
  • Hmet, hydroxymet.

  • Measured at the first inflection-point energy.

  • Intensity-weighted average energy position (resolution ± 0.1 eV, precision > ± 0.05 eV).

  • § Calculated as peak-height × half width and scaled by 102 (error ∼5%).

  • Error in integrated area is higher owing to poor data quality.