Doming Modes and Dynamics of Model Heme Compounds

Authors

Dennis D. Klug, National Research Council of Canada
Marek Z. Zgierski, National Research Council of Canada
John S. Tse, National Research Council of Canada
Zhenxian Liu, Carnegie Institution of Washington
James R. Kincaid, Marquette UniversityFollow
Kazimierz Czarnecki, Marquette University
Russell J. Hemley, Carnegie Institution of Washington

Document Type

Article

Publication Date

10-1-2002

Source Publication

Proceedings of the National Academy of Sciences

Source ISSN

0027-8424

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.

Comments

Published version. Proceedings of the National Academy of Sciences, Vol. 99, No. 20 (October 2002): 12526–12530. DOI. © 2002 National Academy of Sciences. Used with permission.

Recommended Citation

Klug, Dennis D.; Zgierski, Marek Z.; Tse, John S.; Liu, Zhenxian; Kincaid, James R.; Czarnecki, Kazimierz; and Hemley, Russell J., "Doming Modes and Dynamics of Model Heme Compounds" (2002). Chemistry Faculty Research and Publications. 380.
https://epublications.marquette.edu/chem_fac/380