Published January 2021 | Version v1
Journal article

Statistical investigations of the S ( 1 D ) +HD reaction in the quantum regime

  • 1. Instituto de Física Fundamental IFF-CSIC, Serrano 123, 28006 Madrid (Spain)
  • 2. CNRS, Institut des Sciences Moléculaires, F-33400 Talence (France)
  • 3. Université de Bordeaux, Institut des Sciences Moléculaires, F-33400 Talence (France)

Description

Highlights: • Study of the S(1D)+HD reaction with statistical techniques in the low energy regime. • Cross sections are compared with exact quantum mechanical and experimental values at a more extended temperature range. • Branching ratio between the two possible product channels, SH+D and SD+H, are still subject of discussion. The dynamics of the S(1D)+HD reaction has been investigated in the low energy regime by means of a statistical quantum method and mean potential phase space theory. Statistical predictions for cross sections down to 104eV and the corresponding isotope branching ratios have thus been calculated and compared with previous results from the literature. Integral cross sections are also extended up to 0.2 eV to compare with experimental excitation functions reported in the past. Differences between theoretical and experimental branching ratios regarding the two possible product channels, SD+H and SH+D, are observed.

Availability note (English)

Available from http://dx.doi.org/10.1016/j.cplett.2020.138228

Additional details

Identifiers

DOI
10.1016/j.cplett.2020.138228;
PII
S0009261420311283;

Publishing Information

Journal Title
Chemical Physics Letters
Journal Volume
763
Journal Page Range
vp.
ISSN
0009-2614
CODEN
CHPLBC

INIS

Country of Publication
Netherlands
Country of Input or Organization
International Atomic Energy Agency (IAEA)
INIS RN
54086542
Subject category
S74: ATOMIC AND MOLECULAR PHYSICS;
Descriptors DEI
BRANCHING RATIO; EXCITATION FUNCTIONS; INTEGRAL CROSS SECTIONS; ISOTOPES; PHASE SPACE; QUANTUM MECHANICS
Descriptors DEC
CROSS SECTIONS; DIFFERENTIAL CROSS SECTIONS; DIMENSIONLESS NUMBERS; FUNCTIONS; MATHEMATICAL SPACE; MECHANICS; SPACE

Optional Information

Copyright
Copyright (c) 2020 Elsevier B.V. All rights reserved.