Doming modes and dynamics of model heme compounds.

Abstract:

:Synchrotron far-IR spectroscopy and density-functional calculations are used to characterize the low-frequency dynamics of model heme FeCO compounds. The "doming" vibrational mode in which the iron atom moves out of the porphyrin plane while the periphery of this ring moves in the opposite direction determines the reactivity of oxygen with this type of molecule in biological systems. Calculations of frequencies and absorption intensities and the measured pressure dependence of vibrational modes in the model compounds are used to identify the doming and related normal modes.

authors

Klug DD,Zgierski MZ,Tse JS,Liu Z,Kincaid JR,Czarnecki K,Hemley RJ

doi

10.1073/pnas.152464699

keywords:

subject

Has Abstract

pub_date

2002-10-01 00:00:00

pages

12526-30

issue

20

eissn

0027-8424

issn

1091-6490

pii

152464699

journal_volume

99

pub_type

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