TY - JOUR
T1 - Hydride Attack on a Coordinated Ferric Nitrosyl
T2 - Experimental and DFT Evidence for the Formation of a Heme Model-HNO Derivative
AU - Abucayon, Erwin G.
AU - Khade, Rahul L.
AU - Powell, Douglas R.
AU - Zhang, Yong
AU - Richter-Addo, George B.
N1 - Publisher Copyright:
© 2015 American Chemical Society.
PY - 2016/1/13
Y1 - 2016/1/13
N2 - 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.
AB - 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.
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U2 - 10.1021/jacs.5b12008
DO - 10.1021/jacs.5b12008
M3 - Article
C2 - 26678216
AN - SCOPUS:84954406501
SN - 0002-7863
VL - 138
SP - 104
EP - 107
JO - Journal of the American Chemical Society
JF - Journal of the American Chemical Society
IS - 1
ER -