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

DOI: 10.1039/C5CP04529K
PMID: 26455378

Authors: Ronny Golnak (Helmholtz-Zentrum Berlin für Materialien und Energie) , Jie Xiao (Helmholtz-Zentrum Berlin für Materialien und Energie) , Kaan Atak (Helmholtz-Zentrum Berlin für Materialien und Energie) , Joanna S. Stevens (University of Manchester) , Adrian Gainar (University of Manchester) , Sven Schroeder (The University of Leeds, Diamond Light Source) , Emad F. Aziz (Helmholtz-Zentrum Berlin für Materialien und Energie)
Co-authored by industrial partner: No

Type: Journal Paper
Journal: Physical Chemistry Chemical Physics , VOL 17 , PAGES 29000 - 29006

State: Published (Approved)
Published: October 2015

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.

Subject Areas: Chemistry

Facility: BESSY