title: Hydride Attack on a Coordinated Ferric Nitrosyl: Experimental and DFT Evidence for the Formation of a Heme Model-HNO Derivative.
abstract: 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 (1)H NMR spectroscopy. Results of DFT calculations reveal a direct attack of the hydride on the N atom of the coordinated ferric nitrosyl.
authors.affiliation: Department of Chemistry and Biochemistry, University of Oklahoma , Norman, Oklahoma 73019, United States.
authors.forename: Erwin G
authors.initials: EG
authors.lastname: Abucayon
authors.affiliation: Department of Biomedical Engineering, Chemistry and Biological Sciences, Stevens Institute of Technology , Castle Point on Hudson, Hoboken, New Jersey 07030, United States.
authors.forename: Rahul L
authors.initials: RL
authors.lastname: Khade
authors.affiliation: Department of Chemistry and Biochemistry, University of Oklahoma , Norman, Oklahoma 73019, United States.
authors.forename: Douglas R
authors.initials: DR
authors.lastname: Powell
authors.affiliation: Department of Biomedical Engineering, Chemistry and Biological Sciences, Stevens Institute of Technology , Castle Point on Hudson, Hoboken, New Jersey 07030, United States.
authors.forename: Yong
authors.initials: Y
authors.lastname: Zhang
authors.affiliation: Department of Chemistry and Biochemistry, University of Oklahoma , Norman, Oklahoma 73019, United States.
authors.forename: George B
authors.initials: GB
authors.lastname: Richter-Addo
mesh_terms: D005290:Ferric Compounds / Q000737:chemistry*; D006418:Heme / Q000737:chemistry*; D008958:Models, Molecular; D009603:Nitroso Compounds / Q000737:chemistry*; D066244:Proton Magnetic Resonance Spectroscopy; D013055:Spectrophotometry, Infrared
chemical_list: D005290:Ferric Compounds; D009603:Nitroso Compounds; D006418:Heme