Doming modes and dynamics of model heme compounds

被引：39

作者：

Klug, DD

Zgierski, MZ

Tse, JS

Liu, ZX

Kincaid, JR

Czarnecki, K

Hemley, RJ

机构：

[1] Carnegie Inst Washington, Geophys Lab, Washington, DC 20015 USA

[2] Natl Res Council Canada, Inst Mol Sci, Ottawa, ON K1A 0R6, Canada

[3] Marquette Univ, Dept Chem, Milwaukee, WI 53233 USA

来源：

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA | 2002年 / 99卷 / 20期

关键词：

D O I：

10.1073/pnas.152464699

中图分类号：

O [数理科学和化学]; P [天文学、地球科学]; Q [生物科学]; N [自然科学总论];

学科分类号：

07 ; 0710 ; 09 ;

摘要：

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.

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页码：12526 / 12530

页数：5

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