Experimental and Theoretical Study of the Carbon-13 and Deuterium Kinetic Isotope Effects in the Cl and OH Reactions of CH3F-Reference-Cited by-同舟云学术

Experimental and Theoretical Study of the Carbon-13 and Deuterium Kinetic Isotope Effects in the Cl and OH Reactions of CH3F

Published:2008-11-07 Issue:48 Volume:112 Page:12416-12429
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Marinkovic Marina¹,Gruber-Stadler Margret¹,Nicovich J. Michael¹,Soller Raenell¹,Mülhäuser Max¹,Wine Paul H.¹,Bache-Andreassen Lihn¹,Nielsen Claus J.¹

Affiliation:

1. Centre for Theoretical and Computational Chemistry, Department of Chemistry, University of Oslo, P.O. Box. 1033, Blindern 0315 Oslo, Norway, Studiengang Umwelt-, Verfahrens- & Biotechnik, MCI—Management Center Innsbruck Internationale Fachhochschulgesellschaft mbH, Egger-Lienz-Strasse 120, A-6020 Innsbruck, Austria, and School of Chemistry and Biochemistry and School of Earth and Atmospheric Sciences, Georgia Institute of Technology, Atlanta, Georgia 30332

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp807609d

Reference95 articles.

1. Rate Coefficients for the Reactions of Hydroxyl Radicals with Methane and Deuterated Methanes

2. Carbon 13 and D kinetic isotope effects in the reactions of CH4with O(1D) and OH: New laboratory measurements and their implications for the isotopic composition of stratospheric methane

3. The13C and D kinetic isotope effects in the reaction of CH4 with Cl

4. Experimental and theoretical studies of gas phase NO3 and OH radical reactions with formaldehyde, acetaldehyde and their isotopomersElectronic supplementary information (ESI) available: program package FACSIMILE for simulation of the complex set of reactions and the kinetics of the reactor system. Kinetic data from the acetaldehyde studies, the spectral ranges and the compounds included in the subtraction procedures, and a full report of the statistical analyses. Calculated energies of the reactants, intermediate stationary points of the potential energy surface, and the products. Calculated vibrational wavenumbers of the reactants and transition states. See http://www.rsc.org/suppdata/cp/b2/b211234p/

5. Relative Reaction Rates of HCHO, HCDO, DCDO, H13CHO, and HCH18O with OH, Cl, Br, and NO3 Radicals

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