Hydride Attack on a Coordinated Ferric Nitrosyl: Experimental and DFT Evidence for the Formation of a Heme Model–HNO Derivative

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• 作者：Erwin G. Abucayon ; Rahul L. Khade ; Douglas R. Powell ; Yong Zhang ; George B. Richter-Addo
• 刊名：Journal of the American Chemical Society
• 出版年：2016
• 出版时间：January 13, 2016
• 年：2016
• 卷：138
• 期：1
• 页码：104-107
• 全文大小：273K
• ISSN：1520-5126

文摘

Heme–HNO species are crucial intermediates in several biological processes. To date, no well-defined Fe heme–HNO model compounds have been reported. Hydride attack on the cationic ferric [(OEP)Fe(NO)(5-MeIm)]OTf (OEP = octaethylporphyrinato dianion) generates an Fe–HNO product that has been characterized by IR and ¹H NMR spectroscopy. Results of DFT calculations reveal a direct attack of the hydride on the N atom of the coordinated ferric nitrosyl.