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Titolo:
Cobalt carbonyl nitrosyl complexes: Matrix infrared spectra and density functional calculations
Autore:
Wang, XF; Andrews, L;
Indirizzi:
Univ Virginia, Dept Chem, Charlottesville, VA 22904 USA Univ Virginia Charlottesville VA USA 22904 Charlottesville, VA 22904 USA
Titolo Testata:
JOURNAL OF PHYSICAL CHEMISTRY A
fascicolo: 18, volume: 105, anno: 2001,
pagine: 4403 - 4409
SICI:
1089-5639(20010510)105:18<4403:CCNCMI>2.0.ZU;2-O
Fonte:
ISI
Lingua:
ENG
Soggetto:
X = 1; SOLID ARGON; NOX REDUCTION; NITRIC-OXIDE; XENON SOLUTION; ATOMS; CO; MOLECULES; TRICARBONYLNITROSYLCOBALT; MANGANESE;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Physical, Chemical & Earth Sciences
Citazioni:
35
Recensione:
Indirizzi per estratti:
Indirizzo: Andrews, L Univ Virginia, Dept Chem, Mccormick Rd, Charlottesville, VA 22904 USA Univ Virginia Mccormick Rd Charlottesville VA USA 22904 904 USA
Citazione:
X.F. Wang e L. Andrews, "Cobalt carbonyl nitrosyl complexes: Matrix infrared spectra and density functional calculations", J PHYS CH A, 105(18), 2001, pp. 4403-4409

Abstract

Reactions of laser-ablated cobalt atoms with CO and NO mixtures in excess argon during condensation at 7 K generate a series of unsaturated cobalt carbonyl nitrosyls including Co(CO)(NO), Co(CO)[NO], OCo-(NCO), CO(CO)(2)(NO), Co(CO)(2)[NO], and Co(CO)(NO)(2), and the saturated Co(CO)(3)(NO) molecule. The observed infrared bands of reaction products are identified by isotopic substitution, isotopic ratios, and isotopic distributions ((CO)-C-13,(NO)-N-15,(NO)-N-15-O-18, and mixtures). DFT/BPW91 vibrational fundamental calculations reproduced the observed frequencies and isotopic shifts very well. The isocyanate OCo(NCO) is formed from the side-bonded Co[NO] reaction with CO, which is relevant to catalytic reduction processes.

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Documento generato il 01/12/20 alle ore 22:58:03