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Titolo:
Observed and calculated infrared spectra of Pd(H-2)(1,2,3) complexes and palladium hydrides in solid argon and neon
Autore:
Andrews, L; Wang, XF; Alikhani, ME; Manceron, L;
Indirizzi:
Univ Virginia, Dept Chem, Charlottesville, VA 22904 USA Univ Virginia Charlottesville VA USA 22904 Charlottesville, VA 22904 USA Univ Paris 06, UMR 7075, LADIR Spectrochim Mol, F-75252 Paris 05, France Univ Paris 06 Paris France 05 Spectrochim Mol, F-75252 Paris 05, France
Titolo Testata:
JOURNAL OF PHYSICAL CHEMISTRY A
fascicolo: 13, volume: 105, anno: 2001,
pagine: 3052 - 3063
SICI:
1089-5639(20010405)105:13<3052:OACISO>2.0.ZU;2-V
Fonte:
ISI
Lingua:
ENG
Soggetto:
MOLECULAR-HYDROGEN COMPLEXES; LASER PHOTOELECTRON-SPECTROSCOPY; ELECTRON LOCALIZATION FUNCTION; POTENTIAL-ENERGY SURFACES; DIHYDROGEN COMPLEXES; TOPOLOGICAL ANALYSIS; DINITROGEN COMPLEXES; H-H; H-2; MATRICES;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Physical, Chemical & Earth Sciences
Citazioni:
60
Recensione:
Indirizzi per estratti:
Indirizzo: Andrews, L Univ Virginia, Dept Chem, Charlottesville, VA 22904 USA Univ Virginia Charlottesville VA USA 22904 ville, VA 22904 USA
Citazione:
L. Andrews et al., "Observed and calculated infrared spectra of Pd(H-2)(1,2,3) complexes and palladium hydrides in solid argon and neon", J PHYS CH A, 105(13), 2001, pp. 3052-3063

Abstract

Thermally evaporated and laser-ablated Pd atoms interact with H-2 in excess argon to form the side-bonded Pd(H-2) complex, which is characterized by 2971, 1507, and 950 cm(-1) fundamental frequencies. These infrared absorptions are assigned to Pd(H-2) on the basis of the HD and D-2 shifts and DFT frequency calculations. Higher H-2 concentrations favor the Pd(H-2)(2,3) complexes, which exhibit 3038, 778 cm(-1) and 2909, 730, 319 cm(-1) fundamentals, respectively. These complexes involve electrostatic bonding owing to a small amount of charge reorganization. Higher Pd concentrations enhance absorptions due to a Pd--Pd(H-2) complex and the stable (PdH)(2) molecule withno H-H bond. This work shows that one neutral Pd atom cannot insert into aH-2 molecule but that two Pd atoms dissociate molecular hydrogen with no activation energy. Laser ablation produces energetic Pd atoms which also form PdH, electrons which are captured to give PdH2-, and radiation which ionizes H and yields ArnH+ in the matrix cage. Diatomic PdH also forms complexes with dihydrogen.

ASDD Area Sistemi Dipartimentali e Documentali, Università di Bologna, Catalogo delle riviste ed altri periodici
Documento generato il 28/09/20 alle ore 00:48:09