Geometric and Electronic Structure of the Heme-Peroxo-Copper Complex [(FTPP)Fe-(O)-Cu"(TMPA)](CIO).

The geometric and electronic structure of the untethered heme–peroxo–copper model complex [(FTPP)Fe–(O)–Cu(TMPA)](ClO) (1) has been investigated using Cu and Fe K-edge EXAFS spectroscopy and density functional theory calculations in order to describe its geometric and electronic structure. The Fe an...

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Bibliographic Details

Published in:	Journal of the American Chemical Society Vol. 127; no. 34; pp. 11969 - 11979
Main Authors:	del RíO, Diego, Sarangi, Ritimukta, Chufän, Eduardo E., Karlin, Kenneth D., Hedman, Britt, Hodgson, Keith O., Solomon, Edward I.
Format:	Article
Published:	American Chemical Society 8/31/2005
Subjects:	Electronic structure Extended X-ray absorption fine structure Spectrum analysis Density functionals Copper Particles (Nuclear physics)
Online Access:	View this record in EBSCOhost