SIFDT study of the SO+2/H2 H-atom abstraction reaction |
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| Institution: | 1. Department of Mechanical Engineering, Indiana University-Purdue University, SL 260, 723 W. Michigan Street, Indianapolis, IN, USA;2. Department of Mechanical Engineering, Purdue University, 585 Purdue Mall, West Lafayette, IN, USA;1. Institut de Chimie Moleculaire de l’Université de Bourgogne (ICMUB), Université de Bourgogne Franche-Comté (UBFC), Avenue Alain Savary 9, Dijon, France;2. Dipartimento di Farmacia, Università Degli Studi “G. D''Annunzio” Chieti-Pescara, Via dei Vestini, 66100 Chieti, Italy |
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| Abstract: | The exothermic H-atom abstraction reaction of SO+2 with H2 has been studied in a selected ion flow drift tube (SIFDT) over a range of center-of-mass energies from thermal (300 K) to about 0.12 eV. The measured rate coefficient at 300 K is 4.2 × 10−12 cm3 s−1 which is very much less than the Langevin capture rate. The increase in rate coefficient with ion kinetic energy gives a linear Arrhenius-type plot with a slope that indicates a barrier of ∼5 kJ mol−1 exists on the potential surface. The H2SO+2 potential surface is also explored in an ab initio investigation using the G2 procedure. An (SO+2.H2)1 transition state between reactants and products is identified, corresponding to the barrier found from experiments. |
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