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Plane JM, Vondrak T, Broadley S, et al. Kinetic study of the reaction Ca+ + N2O from 188 to 1207 K. J Phys Chem A. 2006;110(25):7874-81doi: 10.1021/jp061664j.
Plane, J. M., Vondrak, T., Broadley, S., Cosic, B., Ermoline, A., & Fontijn, A. (2006). Kinetic study of the reaction Ca+ + N2O from 188 to 1207 K. The journal of physical chemistry. A, 110(25), 7874-81. https://doi.org/10.1021/jp061664j
Plane, John M C, et al. "Kinetic study of the reaction Ca+ + N2O from 188 to 1207 K." The journal of physical chemistry. A vol. 110,25 (2006): 7874-81. doi: https://doi.org/10.1021/jp061664j
Plane JM, Vondrak T, Broadley S, Cosic B, Ermoline A, Fontijn A. Kinetic study of the reaction Ca+ + N2O from 188 to 1207 K. J Phys Chem A. 2006 Jun 29;110(25):7874-81. doi: 10.1021/jp061664j. PMID: 16789775.
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J Phys Chem A. 2006 Jun 29;110(25):7874-81. doi: 10.1021/jp061664j.

Kinetic study of the reaction Ca+ + N2O from 188 to 1207 K.

The journal of physical chemistry. A

John M C Plane, Tomas Vondrak, Sarah Broadley, Biljana Cosic, Alexandre Ermoline, Arthur Fontijn

Affiliations

  1. School of Environmental Sciences, University of East Anglia, Norwich, UK. [email protected]

PMID: 16789775 DOI: 10.1021/jp061664j

Abstract

Ion-molecule reactions involving metallic species play a central role in the chemistry of planetary ionospheres and in many combustion processes. The kinetics of the Ca(+) + N(2)O --> CaO(+) + N(2) reaction was studied by the pulsed multiphoton dissociation at 193 nm of organo-calcium vapor in the presence of N(2)O, followed by time-resolved laser-induced fluorescence spectroscopy of Ca(+) at 393.37 nm (4(2)P(3/2) <-- 4(2)S(1/2)). This yielded k(188-1207 K) = 5.45 x 10(-11) (T/300 K)(0.53) exp(282 K/T) cm(3) molecule(-1) s(-1), with an estimated accuracy of +/-13% (188-600 K) and +/-27% (600-1207 K). The temperature dependence of this barrierless reaction, with a minimum in the rate coefficient between 400 and 600 K, appears to be explained by the role of N(2)O vibrational excitation. This is examined using a classical trajectory treatment on a potential energy surface calculated at the B3LYP/6-311+g(2d,p) level of theory.

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