Imaging the nonadiabatic dynamics of the CH3 + HCl reaction

文献情報

出版日 2007-05-03

DOI 10.1039/B704463A

インパクトファクター 3.676

著者

Bertrand Retail, Stuart J. Greaves, Julie K. Pearce, Rebecca A. Rose, Andrew J. Orr-Ewing

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要旨

LAB-frame velocity distributions of Cl-atoms produced in the photoinitiated reaction of CH3 radicals with HCl have been measured for both the ground Cl (2P3/2) and excited Cl* (2P1/2) spin–orbit states using a DC slice velocity-map ion imaging technique. The similarity of these distributions, as well as the average internal excitation of methane co-products for both Cl and Cl* pathways, suggest that all the reactive flux proceeds through the same transition state on the ground potential energy surface (PES) and that the couplings which promote nonadiabatic transitions to the excited PES correlating to Cl* occur later in the exit channel, beyond the TS region. The nature of these couplings is discussed in light of initial vibrational excitation of CH3 radicals as well as previously reported nonadiabatic reactivity in other polyatomic molecule reactions. Furthermore, the scattering of the reaction products, derived using the photoloc method, suggests that at the high collision energy of our experiment (〈Ecoll〉 = 22.3 kcal mol−1), large impact parameter collisions are favoured with a reduced kinematic constraint on the internal excitation of the methane co-product.

掲載誌

Physical Chemistry Chemical Physics

CiteScore: 5.5

自己引用率: 10.3%

年間論文数: 3036

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

Imaging the nonadiabatic dynamics of the CH3 + HCl reaction

文献情報

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掲載誌

Physical Chemistry Chemical Physics

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