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Titolo:
Infrared spectra and density functional calculations of platinum hydrides
Autore:
Andrews, L; Wang, XF; Manceron, L;
Indirizzi:
Univ Virginia, Dept Chem, Charlottesville, VA 22904 USA Univ Virginia Charlottesville VA USA 22904 Charlottesville, VA 22904 USA Univ Paris 06, LADIR Spectrochim Mol, UMR 7075, F-75252 Paris 05, France Univ Paris 06 Paris France 05 im Mol, UMR 7075, F-75252 Paris 05, France
Titolo Testata:
JOURNAL OF CHEMICAL PHYSICS
fascicolo: 4, volume: 114, anno: 2001,
pagine: 1559 - 1566
SICI:
0021-9606(20010122)114:4<1559:ISADFC>2.0.ZU;2-Z
Fonte:
ISI
Lingua:
ENG
Soggetto:
POTENTIAL-ENERGY SURFACES; EFFECTIVE CORE POTENTIALS; ELECTRONIC STATES; MOLECULAR CALCULATIONS; ARGON MATRICES; GAS MATRICES; CLUSTERS; HYDROGEN; CHEMISORPTION; EXCHANGE;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Physical, Chemical & Earth Sciences
Citazioni:
46
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:
L. Andrews et al., "Infrared spectra and density functional calculations of platinum hydrides", J CHEM PHYS, 114(4), 2001, pp. 1559-1566

Abstract

Laser-ablated and thermally evaporated Pt atoms react with H-2 to form PtH2, which is characterized by infrared spectra of PtH2, PtHD, and PtD2 in solid argon and neon, and density functional theory calculations. The insertion reaction of Pt into dihydrogen is spontaneous on annealing solid neon to6-8 K and solid argon to 20-30 K. This observation requires spin-orbit coupling of the ground D-3(3) and excited S-1(0) states of Pt in the curve-crossing region to give the stable PtH2 ((1)A(1)) molecule. Laser-ablated Pt atoms with excess energy also react with Hz to produce PtH. Further reactions of PtH with H-2 or PtH2 with H atoms give evidence for a new asymmetric H2PtH molecule, which is also characterized by isotopic substitution and frequency calculations. (C) 2001 American Institute of Physics.

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Documento generato il 25/11/20 alle ore 18:56:40