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Titolo:
Reactions of iron atoms with nitric oxide and carbon monoxide in excess argon: Infrared spectra and density functional calculations of iron carbonyl nitrosyl complexes
Autore:
Wang, XF; Zhou, MF; Andrews, L;
Indirizzi:
Univ Virginia, Dept Chem, Charlottesville, VA 22904 USA Univ Virginia Charlottesville VA USA 22904 Charlottesville, VA 22904 USA Fudan Univ, Laser Chem Inst, Shanghai 200433, Peoples R China Fudan Univ Shanghai Peoples R China 200433 nghai 200433, Peoples R China
Titolo Testata:
JOURNAL OF PHYSICAL CHEMISTRY A
fascicolo: 45, volume: 104, anno: 2000,
pagine: 10104 - 10111
SICI:
1089-5639(20001116)104:45<10104:ROIAWN>2.0.ZU;2-A
Fonte:
ISI
Lingua:
ENG
Soggetto:
X = 1; SOLID ARGON; VIBRATIONAL-SPECTRA; REACTION-PRODUCTS; MATRIX-ISOLATION; HEME-PROTEINS; ROW ATOMS; CO; NO; FECO;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Physical, Chemical & Earth Sciences
Citazioni:
53
Recensione:
Indirizzi per estratti:
Indirizzo: Andrews, L Univ Virginia, Dept Chem, McCormick Rd,POB 400319, Charlottesville, VA 22904 USA Univ Virginia McCormick Rd,POB 400319 Charlottesville VA USA 22904
Citazione:
X.F. Wang et al., "Reactions of iron atoms with nitric oxide and carbon monoxide in excess argon: Infrared spectra and density functional calculations of iron carbonyl nitrosyl complexes", J PHYS CH A, 104(45), 2000, pp. 10104-10111

Abstract

Laser-ablated iron atoms react with CO and NO during condensation in excess argon to produce a series of iron carbonyl nitrosyl complexes. The Fe(CO)(NO), Fe(CO)(2)(NO), Fe(CO)(NO)(2), and Fe(CO)(2)(NO)(2) complexes are formed as reaction products during sample deposition and further annealing, which leads to dominance for the saturated Fe(CO)(2)(NO)(2) complex. The Fe(CO)(NO) complex isomerizes to Fe(CO)(eta (2)-NO) on visible photolysis and tothe isocyanate species OFeNCO on ultraviolet irradiation. The observed absorption bands were identified by isotopic substitution ((CO)-C-13-O-16, (NO)-N-15-O-16, (NO)-N-15-O-18. and mixtures) and reproduced by DFT calculations of vibrational fundamentals. The FeCO subunit observed here in differentnitrosyl environments appears to distort and stiffen with an increase in positive charge on iron, which may relate to thr deformability of the FeCO subunit in heme proteins. The nature of bonding and reaction mechanism are discussed.

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Documento generato il 26/11/20 alle ore 11:38:36