Experimental and theoretical studies of the N( 2 D) + H 2 and D 2 reactions.

Autor: Nuñez-Reyes D; Université de Bordeaux, Institut des Sciences Moléculaires, F-33400 Talence, France. kevin.hickson@u-bordeaux.fr and CNRS, Institut des Sciences Moléculaires, F-33400 Talence, France., Bray C; Université de Bordeaux, Institut des Sciences Moléculaires, F-33400 Talence, France. kevin.hickson@u-bordeaux.fr and CNRS, Institut des Sciences Moléculaires, F-33400 Talence, France., Hickson KM; Université de Bordeaux, Institut des Sciences Moléculaires, F-33400 Talence, France. kevin.hickson@u-bordeaux.fr and CNRS, Institut des Sciences Moléculaires, F-33400 Talence, France., Larrégaray P; Université de Bordeaux, Institut des Sciences Moléculaires, F-33400 Talence, France. kevin.hickson@u-bordeaux.fr and CNRS, Institut des Sciences Moléculaires, F-33400 Talence, France., Bonnet L; Université de Bordeaux, Institut des Sciences Moléculaires, F-33400 Talence, France. kevin.hickson@u-bordeaux.fr and CNRS, Institut des Sciences Moléculaires, F-33400 Talence, France., González-Lezana T; Instituto de Física Fundamental, CSIC, IFF-CSIC Serrano 123, 28006 Madrid, Spain.
Jazyk: angličtina
Zdroj: Physical chemistry chemical physics : PCCP [Phys Chem Chem Phys] 2020 Oct 28; Vol. 22 (41), pp. 23609-23617.
DOI: 10.1039/d0cp03971c
Abstrakt: This study reports the results of an experimental and theoretical investigation of the N(2D) + H2 and N(2D) + D2 reactions at room temperature and below. On the experimental side, a supersonic flow (Laval nozzle) reactor was employed to measure rate constants for these processes at temperatures as low as 127 K. N(2D) was produced indirectly by pulsed laser photolysis and these atoms were detected directly by pulsed laser induced fluorescence in the vacuum ultraviolet wavelength region. On the theoretical side, two different approaches were used to calculate rate constants for these reactions; a statistical quantum mechanical (SQM) method and a quasi-classical trajectory capture model including a semi-classical correction for tunneling (SC-Capture). This work is described in the context of previous studies, while the discrepancies between both experiment and theory, as well as between the theoretical results themselves are discussed.
Databáze: MEDLINE
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