Mechanisms of S(N)2 reactions: insights from a nearside/farside analysis
2015 | journal article. A publication with affiliation to the University of Göttingen.
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- Authors
- Hennig, Carsten; Schmatz, Stefan
- Abstract
- A nearside/farside analysis of differential cross sections has been performed for the complex-forming S(N)2 reaction Cl- + CH3Br -> ClCH3 + Br-. It is shown that for low rotational quantum numbers a direct "nearside' reaction mechanism plays an important role and leads to anisotropic differential cross sections. For high rotational quantum numbers, indirect mechanisms via a long-lived intermediate complex are prevalent (independent of a nearside/farside configuration), leading to isotropic cross sections. Quantum mechanical interference can be significant at specific energies or angles. Averaging over energies and angles reveals that the nearside/farside decomposition in a semiclassical interpretation can reasonably account for the analysis of the reaction mechanism.
- Issue Date
- 2015
- Journal
- Physical Chemistry Chemical Physics
- Working Group
- RG Techert (Structural Dynamics in Chemical Systems)
- ISSN
- 1463-9084; 1463-9076