Intermolecular Bonding of Hemin in Solution and in Solid State Probed by N K-edge X-ray Spectroscopies

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.

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Item Type:	Article
Authors/Creators:	Golnak, R Xiao, J Atak, K Stevens, JS Gainar, A Schroeder, SLM Aziz, EF
Copyright, Publisher and Additional Information:	This journal is © the Owner Societies 2015. This is an author produced version of a paper published in Physical Chemistry Chemical Physics. Uploaded in accordance with the publisher's self-archiving policy.
Dates:	Published: 6 October 2015 Accepted: 6 October 2015
Institution:	The University of Leeds
Academic Units:	The University of Leeds > Faculty of Engineering & Physical Sciences (Leeds) > School of Chemical & Process Engineering (Leeds)
Funding Information:	Funder Grant number Infineum Ltd PO 4500672762 Royal Academy of Engineering BRAGG Chair Diamond Light Source Ltd BRAGG Chair EPSRC EP/I013563/1
Depositing User:	Symplectic Publications
Date Deposited:	05 Jan 2016 12:02
Last Modified:	27 Oct 2016 15:48
Published Version:	http://dx.doi.org/10.1039/C5CP04529K
Status:	Published
Publisher:	Royal Society of Chemistry
Identification Number:	10.1039/C5CP04529K
Open Archives Initiative ID (OAI ID):	oai:eprints.whiterose.ac.uk:93043

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Intermolecular Bonding of Hemin in Solution and in Solid State Probed by N K-edge X-ray Spectroscopies

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