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We present wave packet calculations of total and state-to-state reaction probabilities and integral cross sections for the nonadiabatic dynamics of the O( 3P)HF → F( 2P)OH( 2Π) reaction at hyperthermal collision energies ranging from 1.2 to 2.4 eV. The validity of the centrifugal sudden approximation is discussed for the title reaction and a comprehensive investigation of the influence of nonadiabatic effects on the dynamics of this reactive system at high (hyperthermal) collision energies is presented. In general, nonadiabatic effects are negligible for averaged observables, such as total reaction probabilities and integral cross sections, but they are clearly observed in detailed observables such as rotationally state-resolved reaction probabilities. A critical discussion of nonadiabatic effects on the dynamics of the title reaction is carried out by comparing with the reverse reaction and the characteristics of the adiabatic and diabatic potential energy surfaces involved. © 2012 American Institute of Physics.This work has been supported by the Spanish Ministerio de Ciencia e Innovación under Grant Nos. CSD2009-00038 (programa CONSOLIDER-INGENIO 2010 “Molecular Astrophysics: the Herschel and Alma era”), FIS2011-29596-C02, and CTQ2008-02578, and by Comunidad Autónoma de Madrid (CAM) under Grant No. S-0505/MAT/0303. s. Partial nancial support from the Scientic and Technological Research Council of TURKEY (TUBITAK) (Project No. TBAG-109T447) is gratefully acknowledgedPeer Reviewe

Wave packet calculations on nonadiabatic effects for the O(3P)+HF(1Σ+) reaction under hyperthermal conditions