Hydride Attack on a Coordinated Ferric Nitrosyl: Experimental and DFT Evidence for the Formation of a Heme Model–HNO Derivative
datasetposted on 23.12.2015, 17:50 by Erwin G. Abucayon, Rahul L. Khade, Douglas R. Powell, Yong Zhang, George B. Richter-Addo
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.