Doming modes and dynamics of model heme compounds

DOIResolve DOI: http://doi.org/10.1073/pnas.152464699
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TypeArticle
Proceedings titleProc Natl Acad Sci U S A.
Proceedings of the National Academy of Sciences of the United States of America
Conference2002 October 1
Volume99
Issue20
Pages1252612530; # of pages: 5
AbstractSynchrotron 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.
Publication date
AffiliationNational Research Council Canada; NRC Steacie Institute for Molecular Sciences
Peer reviewedNo
NPARC number12327481
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Record identifier20054ca5-0b5c-401b-8e23-d81817b67a37
Record created2009-09-10
Record modified2016-05-09
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