Toward a Complete Understanding of the Vinyl Fluoride Spectrum in the Atmospheric Region
Anno: 2011
Autori: Tasinato N., Stoppa P., Pietropolli Charmet A., Giorgianni S., Buffa G., Gambi A.
Affiliazione autori: Dipartimento di Chimica Fisica, Università Ca’ Foscari Calle Largo S Marta 2137, I-30123 Venice, Italy; INO-CNR and Dipartimento di Fisica \”E. Fermi\” Università di Pisa, Largo Pontecorvo 3, I-56127 Pisa, Italy; Dipartimento di Scienze e Tecnologie Chimiche, Università degli Studi di Udine, Via Cotonificio 108, I-33100 Udine, Italy
Abstract: A deep and comprehensive investigation of the vinyl fluoride (CH2CHF) spectrum in the atmospheric window around 8.7 mu m is presented. At first, the ro-vibrational patterns are modelled to an effective Hamiltonian, which also takes into account the coupling of the C-F stretching vibration, v(7), with the neighbouring vibrational combination v(9) + v(12). The obtained Hamiltonian gives very accurate simulations and predictions of the ro-vibrational quantum energies. Then, in the main part of the work, an experimental and theoretical study of vinyl fluoride self-broadening collisions is carried out for the first time. The broadening coefficients obtained experimentally are compared with those calculated by a semiclassical theory, demonstrating a significant contribution of collisional coupling effects between lines connecting pairs of degenerate (or nearly degenerate) rotational levels. Finally, the experimentally retrieved integrated absorption coefficients are used to calculate the absorption cross-section of the v(7) normal mode, from which dipole transition moments are derived. The obtained results provide a deep insight into the spectral behaviour of vinyl fluoride, in a spectral region of primary relevance for atmospheric and environmental determinations. Indeed, the data presented constitute an accurate model for the remote sensing, of vinyl fluoride-a molecule of proved industrial importance which can lead to hazardous effects in the atmosphere and affects human\’s health.
Giornale/Rivista: CHEMPHYSCHEM
Volume: 12 (2) Da Pagina: 356 A: 363
Maggiori informazioni: This work was financially supported by PRIN 2007 (project: Trasferimenti di energia, carica e molecole in sistemi complessi).Parole chiavi: collisional coupling; dipole transition moments; IR spectroscopy; molecular collisions; single-molecule studiesDOI: 10.1002/cphc.201000859Citazioni: 20dati da “WEB OF SCIENCE” (of Thomson Reuters) aggiornati al: 2024-04-28Riferimenti tratti da Isi Web of Knowledge: (solo abbonati) Link per visualizzare la scheda su IsiWeb: Clicca quiLink per visualizzare la citazioni su IsiWeb: Clicca qui