Stereodynamics of the reaction O(D-1(2))+H-2(upsilon=0)->OH(X-2 Pi(i);upsilon'=0,N',f)+H: State-resolved linear and rotational angular momentum distributions

A J Alexander, F J Aoiz, L Banares, M Brouard, J Short, J P Simons

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Abstract

The product-state-specific stereodynamics of the photon-initiated reaction of O(D-1(2)) with H-2 has been investigated by polarized Doppler-resolved laser-induced fluorescence, under room-temperature bulb conditions. Product-state-resolved differential cross sections, excitation functions, and rotational angular momentum alignments are reported for the channels leading to OH((2) Pi(3/2)(A'/A ''); v'=0,N'=5) and OH((2) Pi(1/2)(A'); v'=0,N'=14) at a mean collision energy of similar to 12 kJ mol(-1). The data are compared with (state-resolved) quasi-classical trajectory (QCT) calculations of the linear and angular momentum distributions and excitation functions conducted on the Schinke-Lester (SL1) ab initio ground-state potential energy surface, under similar conditions as the experiments. Overall, excellent agreement is obtained between the QCT calculated and experimentally determined stereodynamical features. The results are discussed in light of other recent work on this prototypical insertion reaction and on the related systems O(D-1(2)) + HD and CH4.

Original languageEnglish
Pages (from-to)7544-7557
Number of pages14
JournalThe Journal of Physical Chemistry A
Volume101
Issue number41
Publication statusPublished - 9 Oct 1997

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