 |
 |
Journal articles
Experimental and theoretical study of the collisional quenching of S(1D) by Ar
Abstract : We present an experimental and theoretical investigation of the deactivation rate of S(1D) atoms by collisions with argon. Kinetic measurements were performed at temperatures from 5.8 K to 298 K in cold uniform supersonic flows using a CRESU (Cinétique de Réaction en Ecoulement Supersonique Uniforme or Reaction Kinetics in a Uniform Supersonic Flow) apparatus. In order to simulate them, ab initio electronic structure calculations using internally contracted MRCI methodology were performed to describe the interaction. Starting from them, close-coupling calculations were carried out to determine collisional quenching probabilities for the transition S(1D) → S(3P) in the energy range 1-3000 K (1 K ≈ 0.7 cm-1), sufficient to calculate thermal rate coefficients up to 300 K. Stückelberg-like oscillations in the quenching probabilities as a function of the energy are found and interpreted using a semiclassical model. Differences between the temperature dependence of the experimental and theoretical rate coefficients are detected at low temperatures. They are discussed in the light of a study of the high sensitivity of the theoretical results to the potential curves, due to the interference mechanisms which underlie the process. © 2017 the Owner Societies.
https://hal-univ-rennes1.archives-ouvertes.fr/hal-01638857
Contributor : Laurent Jonchère <>
Submitted on : Monday, November 20, 2017 - 11:42:19 AM
Last modification on : Wednesday, October 14, 2020 - 3:59:41 AM
Contributor : Laurent Jonchère <>
Submitted on : Monday, November 20, 2017 - 11:42:19 AM
Last modification on : Wednesday, October 14, 2020 - 3:59:41 AM