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, Università di Pisa, Largo Pontecorvo 3, 56127 Pisa, Italy
Dipartimento di Chimica “G. Ciamician”, Università 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; ionsDOI: 10.1002/cphc.200600166ImpactFactor: 3.449Citations: 11data from “WEB OF SCIENCE” (of Thomson Reuters) are update at: 2024-11-24References taken from IsiWeb of Knowledge: (subscribers only)Connecting to view paper tab on IsiWeb: Click hereConnecting to view citations from IsiWeb: Click here
