On the Exchange Reaction 16O+18O2

Brennen, W.; Niki, H.

doi:10.1063/1.1695790

Cited by 23 publications

(18 citation statements)

References 4 publications

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“…In previous analyses [10][11][12][13][14] of the OϩO 2 exchange kinetics the dependence of the rate of reaction ͑1͒ on the isotopes involved has generally been neglected. Anderson et al 15 were the first to observe, however, that indeed a strong isotope dependence of reaction ͑1͒ exists.…”

Section: Introductionmentioning

confidence: 99%

Isotope dependence of the O+O2 exchange reaction: Experiment and theory

Fleurat‐Lessard¹,

Grebenshchikov²,

Schinke³

et al. 2003

The Journal of Chemical Physics

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The isotope dependence of the O+O2 exchange reaction is investigated by means of kinetic experiments and classical trajectory calculations on an accurate potential energy surface. The measurements confirm the previously reported negative temperature dependence and yield the rate coefficients for both the exothermic 18O+16O2->18O16O+16O and the endothermic 16O+18O2->16O18O+18O reaction between 233 and 353 K: k8=(3.4±0.6)x10-12 (300 K/T)1.1±0.5 cm3s-1 and k6=(2.7±0.4)x10-12 (300 K/T)0.9±0.5 cm3s-1. In addition, the ratio of these two rates, R, has been measured with comparatively higher precision. It is 1.27±0.04 at 300 K and also shows a distinct negative temperature dependence. Four types of classical trajectory calculations are performed in order to interpret the experimental result. They differ by the way in which the quantum mechanical zero-point energy of the reactants and the differences of zero-point energies between reactants and products, ΔEZPEapproximate to±22 cm-1, are phenomenologically incorporated. Only calculations which account for ΔEZPE are successful in reproducing the temperature dependence of R. This emphasizes that ΔEZPE is an important factor in low-temperature ozone kinetics. At energies slightly above threshold a dynamical effect is found which additionally favors the exothermic over the endothermic reaction

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Section: Introductionmentioning

confidence: 99%

Isotope dependence of the O+O2 exchange reaction: Experiment and theory

Fleurat‐Lessard¹,

Grebenshchikov²,

Schinke³

et al. 2003

The Journal of Chemical Physics

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“…6 and earlier references therein͒. Here, A, B, and C represent either 16 O, 17 O, or 18 O. The long-term goal of our efforts is to explain these observations on the basis of rigorous quantum-mechanical dynamics calculations-beyond statistical theories 7,8 -and the new PES provides a solid foundation for this.…”

Section: Introductionmentioning

confidence: 96%

“…The accuracy of this PES has been tested in Ref. 2 ͑hereafter termed I͒ by comparing the calculated vibrational energies with the many experimental energies, ϳ70 for 16 O 3 and ϳ100 for other isotopomers. The agreement is excellent with the root-meansquare ͑rms͒ error being of the order of 4 to 5 cm Ϫ1 ͑see Tables III-VII in I͒.…”

Section: Introductionmentioning

confidence: 99%

“…Spectroscopic data for highly excited states at energies around the OϩO 2 asymptote are not available-except for some states of the symmetric stretch progression, 14 9 The investigation of the OϩO 2 exchange reaction has a long history. [15][16][17] The first reliable, and now generally accepted, value for the rate constant has been measured by Anderson et al 18 for room temperature and the first trustworthy study of its temperature dependence has not been performed until 1997 by Wiegell et al 9 Dynamical calculations for this elementary reaction have been performed using various semiempirical 19,20 and calculated 21 PESs. The calculated rates of Varandas and Pais, 22 using a double many-body expansion PES, and of Gross and Billing, 23 employing the ab initio PES of Yamashita et al 13 after some drastic modifications of the TS region, agree quite well with the measured rates at room temperature.…”

Section: Introductionmentioning

confidence: 99%

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Theoretical investigation of the temperature dependence of the O+O2 exchange reaction

Fleurat‐Lessard¹,

Grebenshchikov

Siebert

et al. 2003

The Journal of Chemical Physics

146

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“…Isotope exchange studies (43,44) give a rate constant of 1 x 10-l2 for exchange and an activation energy (45) for M = Ar with an uncertainty of about 50%. In summary, it appears that the rate constant at 300 OK is known to within a factor of 2.…”

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confidence: 99%

Neutral reactions involving oxygen and nitrogen

Schiff¹

1969

Can. J. Chem.

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Methods of production and detection of reactive species of oxygen and nitrogen are discussed briefly. Kinetic data for reactions of these species which have aeronomic interest are reviewed. New data, obtained during the past 4 years are critically compared, and recommendations made for "best" values where possible. An attempt is also made to delineate important areas where additional work is needed to meet the demands of atmospheric modelling.

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On the Exchange Reaction 16O+18O2

Cited by 23 publications

References 4 publications

Isotope dependence of the O+O2 exchange reaction: Experiment and theory

Isotope dependence of the O+O2 exchange reaction: Experiment and theory

Theoretical investigation of the temperature dependence of the O+O2 exchange reaction

Neutral reactions involving oxygen and nitrogen

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