Vibrational spectroscopy and normal-mode analysis of Fe(II) octaethylporphyrin
Article Abstract:
The nuclear resonance vibrational spectroscopy (NRVS) measurements of the Fe vibrational density of states for one of the simplest porphyrins, Fe(II) octaethylporphyrin (FE(OEP)), are used to refine the force field for a normal-mode analysis. Better fits to the NRVS data might require explicit treatment of intermolecular forces, and NRVS measurements on single crystals of Fe(OEP) would further constrain the best-fit force field.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2006
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Fe vibrational spectroscopy of myoglobin and cytochrome f
Article Abstract:
The Fe vibrational density of states (VDOS) is determined for the heme proteins deoxymyoglobin metmyoglobin and cytochrome f in the oxidized and reduced states using nuclear resonance vibrational spectroscopy (NRVS). The mean Fe force illustrates how Fe dynamics varies among four moneheme proteins and is correlated with oxidation and spin state trends seen in model heme compounds.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2006
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Determination of the complete set of iron normal modes in the Heme model compound Fe(super III) (OEP)CI from nuclear resonance vibrational spectroscopic data
Article Abstract:
An investigation of the model compound chloro iron octaphenylporphyrin Fe(OEP)Cl, as a stepin understanding biologically significant dynamics in heme proteins is reported. A normal-mode analysis is employed to calculate the Fe(super 57) partial vibrational density of states (VDOS) and refined to absorption data from nuclear resonance vibrational spectroscopy.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2003
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