New experimental and theoretical results for argon broadening and shift of HCO+ rotational lines

Year: 2006

Authors: Buffa G., Dore L., Tinti F., Meuwly M.

Autors Affiliation: IPCF-CNR, Area Ric, Via Moruzzi 1 – Pisa, Italy and Dipartimento di Fisica, Universit� di Pisa, Largo Pontecorvo 3, 56127 Pisa, Italy
Dipartimento di Chimica �G. Ciamician�, Universit� di Bologna, Via Selmi 2, 40126 Bologna, Italy
Department of Chemistry, University of Basel, Klingelbergstrasse 80, 4056 Basel, Switzerland,

Abstract: An experimental and theoretical study of the pressure broadening and the pressure shift of three HCO+ rotational lines (j = 4 <- 3, 5 <- 4 and 6 <- 5) perturbed by collisions with Ar is presented. the measurements are carried out at 77K and are compared to close-coupling calculations performed on an accurate potential energy surface for the Ar-HCO+ interaction extending from small to very large separations between the ion and the perturber. For the pressure broadening, agreement between experiment and theory is satisfactory for both close-coupling and semiclassical calculations. For the pressure shift, however, close-coupling calculations are superior. The results agree with experiment in sign and order of magnitude, while semiclassical calculations are in-accurate for the shift of the presently studied lines because they neglect the contribution of strong collisions. Journal/Review: CHEMPHYSCHEM

Volume: 7 (8)      Pages from: 1764  to: 1769

KeyWords: collisional brooadening; collisional shift; PES; rotational transition; ions
DOI: 10.1002/cphc.200600166

ImpactFactor: 3.449
Citations: 11
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