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Titolo:
Precious metal-molecular oxygen complexes: Neon matrix infrared spectra and density functional calculations for M(O-2), M(O-2)(2) (M = Pd, Pt, Ag, Au)
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: 24, volume: 105, anno: 2001,
pagine: 5812 - 5822
SICI:
1089-5639(20010621)105:24<5812:PMOCNM>2.0.ZU;2-1
Fonte:
ISI
Lingua:
ENG
Soggetto:
EFFECTIVE CORE POTENTIALS; ELECTRON-SPIN-RESONANCE; ABLATED IRON ATOMS; RARE-GAS MATRICES; SOLID ARGON; DIOXYGEN COMPLEXES; DFT CALCULATIONS; COPPER ATOMS; PLATINUM; ENERGY;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Physical, Chemical & Earth Sciences
Citazioni:
60
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 e L. Andrews, "Precious metal-molecular oxygen complexes: Neon matrix infrared spectra and density functional calculations for M(O-2), M(O-2)(2) (M = Pd, Pt, Ag, Au)", J PHYS CH A, 105(24), 2001, pp. 5812-5822

Abstract

Laser-ablated palladium,platinum, silver, and gold atoms react with molecular oxygen in excess neon during condensation at 4 K. Reaction products, M-(eta (2)-OO), M-(eta (2)-OO)(2) (M = Pd, Pt), PtO, PtO2, AuO2, M-(eta (1)-OO) (M = Ag, Au), and anions Ag-(eta (1)-OO)-, Au-(eta (1)-OO)(2)(-), are identified from isotopic shifts and splittings in their matrix infrared spectra. Density functional theory (BPW91 and B3LYP) calculations:are performed on the product molecules for comparison of calculated frequencies and O-16/O-18 isotopic ratios. Doping with CCl4 to serve as:an electron trap eliminates the anion bands, which further supports the anion identifications. The reaction mechanism and comparison with argon matrix experiments are discussed. The AuOO complex exhibits an unusually large neon-argon matrix shift, which suggests increased charge transfer in the more polarizable argon matrix.

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Documento generato il 26/11/20 alle ore 09:05:02