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Titolo:
Manganese carbonyl nitrosyl complexes in solid argon: Infrared spectra anddensity functional calculations
Autore:
Wang, XF; Zhou, M; 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: 34, volume: 104, anno: 2000,
pagine: 7964 - 7973
SICI:
1089-5639(20000831)104:34<7964:MCNCIS>2.0.ZU;2-V
Fonte:
ISI
Lingua:
ENG
Soggetto:
X = 1; NITRIC-OXIDE; ROW ATOMS; NO; CO; NEON; MOLECULES; SURFACE; ANIONS; REDUCTION;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Physical, Chemical & Earth Sciences
Citazioni:
43
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., "Manganese carbonyl nitrosyl complexes in solid argon: Infrared spectra anddensity functional calculations", J PHYS CH A, 104(34), 2000, pp. 7964-7973

Abstract

Laser-ablated manganese atoms react with CO and NO mixtures upon condensation in excess argon and further annealing to produce a series of unsaturated manganese carbonyl nitrosyl complexes including Mn-(CO)(NO), Mn(CO)(NO)(2), and Mn(CO)(2)(NO). The Mn(CO)(NO) complex isomerizes to Mn(CO)(eta(2)-NO) on visible photolysis, which rearranges to the isocyanate OMnNCO moleculeon ultraviolet photolysis. The Mn(CO)(NO)(eta(2)-NO) and Mn(CO)(NO)(2)(eta(2)-NO) isomers also appear on annealing as does Mn(CO)(4)(NO). The major product after annealing is the stable 18-electron molecule Mn(CO)(NO)(3). The observed absorption bands of reaction products were identified by isotopic substitution ((CO)-C-13-O-16, (NO)-N-15-O-16, (NO)-N-15-O-18, and mixtures) and reproduced within 1-3% by density functional theory calculations of vibrational fundamentals. The bonding and reaction mechanisms are discussed. The isocyanate species formed here from the simple Mn(CO)(NO) complex is relevant to catalytic reactions for pollution control.

ASDD Area Sistemi Dipartimentali e Documentali, Università di Bologna, Catalogo delle riviste ed altri periodici
Documento generato il 04/12/20 alle ore 08:58:04