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Pellegrino, J.; Bari, S.E.; Bikiel, D.E.; Doctorovich, F. "Successful stabilization of the elusive species {FeNO}8 in a heme model" (2010) Journal of the American Chemical Society. 132(3):989-995
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Abstract:

Nitroxyl (HNO/NO-) heme-adducts have been postulated as intermediates in a variety of catalytic processes carried out by different metalloenzymes. Hence, there is growing interest in obtaining and characterizing heme model nitroxyl complexes. The one-electron chemical reduction of the {FeNO}7 nitrosyl derivative of FeIII(TFPPBr 8)Cl, FeII(TFPPBr8)NO (1) (TFPPBr8 = 2,3,7,8,12,13,17,18-octabromo-5,10,15,20-[Tetrakis-(pentafluorophenyl)] porphyrin) with cobaltocene yields the significantly stable {FeNO}8 complex, [Co(C5H5)2]+[Fe(TFPPBr 8)NO]- (2). Complex 2 was isolated and characterized by UV - vis, FTIR, 1H and 15N NMR spectroscopies. In addition, DFT calculations were performed to get more insight into the structure of 2. According to the spectroscopic and DFT results, we can state unequivocally that the surprisingly stable complex 2 is the elusive {FeNO}8 species. Both experimental and computational data allow to assign the electronic structure of 2 as intermediate between FeIINO- and Fe INO, which is contrasted with the predominant FeIINO - character of known nonheme {FeNO}8 complexes. The enhanced stability achieved for a heme model {FeNO}8 is expected to allow further studies related to the reactivity of this elusive species. © 2010 American Chemical Society.

Registro:

Documento: Artículo
Título:Successful stabilization of the elusive species {FeNO}8 in a heme model
Autor:Pellegrino, J.; Bari, S.E.; Bikiel, D.E.; Doctorovich, F.
Filiación:Departamento de Química Inorgánica, Analítica, Y Química Física, Universidad de Buenos Aires, INQUIMAE-CONICET, C1428EHA Buenos Aires, Argentina
Palabras clave:Catalytic process; Chemical reduction; Cobaltocene; Computational data; DFT calculation; Enhanced stability; FTIR; Heme models; Metalloenzymes; NMR spectroscopy; Nonheme; Pentafluorophenyl; Stable complexes; Tetrakis; Electronic structure; Fourier transform infrared spectroscopy; Hemoglobin; Nuclear magnetic resonance spectroscopy; Porphyrins; Probability density function; Sulfur compounds; Cobalt compounds; 2,3,7,8,13,17,18 octabromo 5,10,15,20 tetrakis(pentafluorophenyl)porphyrin; heme derivative; iron complex; nitroxide derivative; unclassified drug; article; catalysis; chemical reaction; chemical structure; complex formation; density functional theory; electron transport; infrared spectroscopy; nitrogen nuclear magnetic resonance; proton nuclear magnetic resonance; reaction analysis; reduction; synthesis; ultraviolet spectroscopy; Computer Simulation; Ferric Compounds; Ferrous Compounds; Heme; Models, Chemical; Nitrogen Oxides; Porphyrins
Año:2010
Volumen:132
Número:3
Página de inicio:989
Página de fin:995
DOI: http://dx.doi.org/10.1021/ja905062w
Título revista:Journal of the American Chemical Society
Título revista abreviado:J. Am. Chem. Soc.
ISSN:00027863
CODEN:JACSA
CAS:Ferric Compounds; Ferrous Compounds; Heme, 14875-96-8; Nitrogen Oxides; Porphyrins; nitroxyl, 14332-28-6
Registro:https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00027863_v132_n3_p989_Pellegrino

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Citas:

---------- APA ----------
Pellegrino, J., Bari, S.E., Bikiel, D.E. & Doctorovich, F. (2010) . Successful stabilization of the elusive species {FeNO}8 in a heme model. Journal of the American Chemical Society, 132(3), 989-995.
http://dx.doi.org/10.1021/ja905062w
---------- CHICAGO ----------
Pellegrino, J., Bari, S.E., Bikiel, D.E., Doctorovich, F. "Successful stabilization of the elusive species {FeNO}8 in a heme model" . Journal of the American Chemical Society 132, no. 3 (2010) : 989-995.
http://dx.doi.org/10.1021/ja905062w
---------- MLA ----------
Pellegrino, J., Bari, S.E., Bikiel, D.E., Doctorovich, F. "Successful stabilization of the elusive species {FeNO}8 in a heme model" . Journal of the American Chemical Society, vol. 132, no. 3, 2010, pp. 989-995.
http://dx.doi.org/10.1021/ja905062w
---------- VANCOUVER ----------
Pellegrino, J., Bari, S.E., Bikiel, D.E., Doctorovich, F. Successful stabilization of the elusive species {FeNO}8 in a heme model. J. Am. Chem. Soc. 2010;132(3):989-995.
http://dx.doi.org/10.1021/ja905062w