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Titolo:
ArI2(X)-> Ar+I-2(B) photodissociation: Comparison between linear and T-shaped isomers dynamics
Autore:
Roncero, O; Lepetit, B; Beswick, JA; Halberstadt, N; Buchachenko, AA;
Indirizzi:
CSIC, Inst Matemat & Fis Fundamental, E-28006 Madrid, Spain CSIC Madrid Spain E-28006 temat & Fis Fundamental, E-28006 Madrid, Spain Univ Toulouse 3, LCAR, IRSAM, F-31062 Toulouse, France Univ Toulouse 3 Toulouse France F-31062 IRSAM, F-31062 Toulouse, France CNRS, UMR 5589, F-31062 Toulouse, France CNRS Toulouse France F-31062CNRS, UMR 5589, F-31062 Toulouse, France Univ Toulouse 3, LPQ, IRSAMC, F-31062 Toulouse, France Univ Toulouse 3 Toulouse France F-31062 IRSAMC, F-31062 Toulouse, France CNRS, UMR 5626, F-31062 Toulouse, France CNRS Toulouse France F-31062CNRS, UMR 5626, F-31062 Toulouse, France Moscow MV Lomonosov State Univ, Dept Chem, Lab Mol Struct & Quantum Mech, Moscow 119899, Russia Moscow MV Lomonosov State Univ Moscow Russia 119899oscow 119899, Russia
Titolo Testata:
JOURNAL OF CHEMICAL PHYSICS
fascicolo: 15, volume: 115, anno: 2001,
pagine: 6961 - 6973
SICI:
0021-9606(20011015)115:15<6961:AAPCBL>2.0.ZU;2-8
Fonte:
ISI
Lingua:
ENG
Soggetto:
POTENTIAL-ENERGY SURFACES; CHEMICAL-REACTION DYNAMICS; DER-WAALS COMPLEXES; INTRAMOLECULAR VIBRATIONAL REDISTRIBUTION; DEPENDENT WAVE-PACKET; QUANTUM DYNAMICS; ELECTRONIC PREDISSOCIATION; VANDERWAALS COMPLEXES; B-STATE; DISSOCIATION LIMIT;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Physical, Chemical & Earth Sciences
Citazioni:
78
Recensione:
Indirizzi per estratti:
Indirizzo: Roncero, O CSIC, Inst Matemat & Fis Fundamental, Serrano 123, E-28006 Madrid, Spain CSIC Serrano 123 Madrid Spain E-28006 3, E-28006 Madrid, Spain
Citazione:
O. Roncero et al., "ArI2(X)-> Ar+I-2(B) photodissociation: Comparison between linear and T-shaped isomers dynamics", J CHEM PHYS, 115(15), 2001, pp. 6961-6973

Abstract

Quantum dynamical calculations on ArI2 photodissociation have been performed using ab initio and semi-empirical potential energy surfaces, which support both linear and T-shaped isomers in the ground electronic state. Whereas the photon absorption spectra for the T-shaped isomer consist of narrow and intense bands, those for the linear isomer result from the superpositionof a continuous background and peaks due to linear quasi-bound states. Vibrational distributions for the linear isomer are broader than those originating from the T-shaped one. Rotational distributions for the linear isomer are smooth and characteristic of a fast dissociation dynamics, whereas those for the T-shaped isomer are highly oscillatory. Implications of these results on the interpretation of experimental data are discussed. (C) 2001 American Institute of Physics.

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Documento generato il 05/07/20 alle ore 13:38:28