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.
journal_name
Proc Natl Acad Sci U S Aauthors
Klug DD,Zgierski MZ,Tse JS,Liu Z,Kincaid JR,Czarnecki K,Hemley RJdoi
10.1073/pnas.152464699keywords:
subject
Has Abstractpub_date
2002-10-01 00:00:00pages
12526-30issue
20eissn
0027-8424issn
1091-6490pii
152464699journal_volume
99pub_type
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