Reactions of C+ + Cl−, Br−, and I−—A comparison of theory and experiment
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 <10−8 cm3 s−1 were found for the reaction of C+ with Br− and I−, and a rate constant of 4.2 ± 1.1 × 10−9 cm3 s−1 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 × 10−10 cm3 s−1, 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.
Document Details
- Document Type
- Pub Defense Publication
- Publication Date
- Dec 23, 2019
- Source ID
- 10.1063/1.5126689
Entities
People
- Albert A Viggiano
- Ann E. Orel
- Jordan C. Sawyer
- Kenneth W. Engeling
- Nicholas S Shuman
- Patrik Hedvall
- Thomas M Miller
- Åsa Larson
Organizations
- Air Force Office of Scientific Research
- Air Force Research Laboratory
- Boston College
- Formas
- Stockholm University
- University of California
- University of Michigan