Reactions of C + Cl, Br, and I-A comparison of theory and experiment.

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2019
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Abstract
Rate constants for the reactions of C + Cl, Br, and I were measured at 300 K using the variable electron and neutral density electron attachment mass spectrometry technique in a flowing afterglow Langmuir probe apparatus. Upper bounds of <10 cm s were found for the reaction of C with Br and I, and a rate constant of 4.2 ± 1.1 × 10 cm s was measured for the reaction with Cl. The C + Cl mutual neutralization reaction was studied theoretically from first principles, and a rate constant of 3.9 × 10 cm s, an order of magnitude smaller than experiment, was obtained with spin-orbit interactions included using a semiempirical model. The discrepancy between the measured and calculated rate constants could be explained by the fact that in the experiment, the total loss of C ions was measured, while the theoretical treatment did not include the associative ionization channel. The charge transfer was found to take place at small internuclear distances, and the spin-orbit interaction was found to have a minor effect on the rate constant.
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Authors Sawyer, Jordan C;Hedvall, Patrik;Miller, Thomas M;Engeling, Kenneth W;Larson, Åsa;Orel, Ann E;Viggiano, Albert A;Shuman, Nicholas S;
Journal The Journal of Chemical Physics
Year 2019
DOI
10.1063/1.5126689
URL
Keywords
human workforce diversity postdoc careers in science research culture underrepresented minority women in science

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