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Issue 42, 2017
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Experimental and theoretical study of the collisional quenching of S(1D) by Ar

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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.

Graphical abstract: Experimental and theoretical study of the collisional quenching of S(1D) by Ar

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Publication details

The article was received on 03 Aug 2017, accepted on 09 Oct 2017 and first published on 09 Oct 2017


Article type: Paper
DOI: 10.1039/C7CP05279K
Citation: Phys. Chem. Chem. Phys., 2017,19, 28555-28571
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    Experimental and theoretical study of the collisional quenching of S(1D) by Ar

    M. Lara, C. Berteloite, M. Paniagua, F. Dayou, S. D. Le Picard and J.-M. Launay, Phys. Chem. Chem. Phys., 2017, 19, 28555
    DOI: 10.1039/C7CP05279K

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