Intermolecular bonding of hemin in solution and in solid state probed by N K-edge X-ray spectroscopies

Phys Chem Chem Phys. 2015 Nov 21;17(43):29000-6. doi: 10.1039/c5cp04529k.

Abstract

X-ray absorption/emission spectroscopy (XAS/XES) at the N K-edge of iron protoporphyrin IX chloride (FePPIX-Cl, or hemin) has been carried out for dissolved monomers in DMSO, dimers in water and for the solid state. This sequence of samples permits identification of characteristic spectral features associated with the hemin intermolecular bonding. These characteristic features are further analyzed and understood at the molecular orbital (MO) level based on the DFT calculations.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Animals
  • Cattle
  • Dimerization
  • Dimethyl Sulfoxide / chemistry
  • Hemin / chemistry*
  • Quantum Theory
  • Solutions / chemistry*
  • Water / chemistry
  • X-Ray Absorption Spectroscopy

Substances

  • Solutions
  • Water
  • Hemin
  • Dimethyl Sulfoxide