Dynamics Study of the OH + O3 Atmospheric Reaction with Both Reactants Vibrationally Excited | Zendy

Lei Zhang | Zendy; Pingya Luo | Zendy; Zhiyu Huang | Zendy; A. J. C. Varandas | Zendy

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Dynamics Study of the OH + O₃ Atmospheric Reaction with Both Reactants Vibrationally Excited

Author(s) -

Lei Zhang,

Pingya Luo,

Zhiyu Huang,

A. J. C. Varandas

Publication year - 2006

Publication title -

the journal of physical chemistry a

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.756

H-Index - 235

eISSN - 1520-5215

pISSN - 1089-5639

DOI - 10.1021/jp066273j

Subject(s) - excited state , ozone , reaction rate constant , potential energy surface , atomic physics , chemistry , range (aeronautics) , atmospheric chemistry , reaction rate , chemical kinetics , atom (system on chip) , ozone depletion , kinetics , physics , materials science , catalysis , molecule , organic chemistry , quantum mechanics , computer science , composite material , embedded system , biochemistry

The dynamics of the title five-atom atmospheric reaction is studied by the quasiclassical trajectory method for vibrational states of OH over the range 2 < or = v < or = 9 and initial vibrational energies of O3 between 9 and 21 kcal mol-1 using a previously reported double many-body expansion potential energy surface for HO4(2A). The results show that the reaction is controlled by both capture- and barrier-type mechanisms, with the rate constants depending strongly on the reactants' internal energy content. Also suggested from the magnitude of the calculated rate coefficients is that the title processes may not be ignorable when studying the stratospheric ozone budget.

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