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Imaging Reaction Dynamics of F(–)(H(2)O) and Cl(–)(H(2)O) with CH(3)I
[Image: see text] The dynamics of microhydrated nucleophilic substitution reactions have been studied using crossed beam velocity map imaging experiments and quasiclassical trajectory simulations at different collision energies between 0.3 and 2.6 eV. For F(–)(H(2)O) reacting with CH(3)I, a small fr...
Autores principales: | , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American Chemical
Society
2020
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7197043/ https://www.ncbi.nlm.nih.gov/pubmed/32050071 http://dx.doi.org/10.1021/acs.jpca.0c00098 |
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author | Bastian, Björn Michaelsen, Tim Li, Lulu Ončák, Milan Meyer, Jennifer Zhang, Dong H. Wester, Roland |
author_facet | Bastian, Björn Michaelsen, Tim Li, Lulu Ončák, Milan Meyer, Jennifer Zhang, Dong H. Wester, Roland |
author_sort | Bastian, Björn |
collection | PubMed |
description | [Image: see text] The dynamics of microhydrated nucleophilic substitution reactions have been studied using crossed beam velocity map imaging experiments and quasiclassical trajectory simulations at different collision energies between 0.3 and 2.6 eV. For F(–)(H(2)O) reacting with CH(3)I, a small fraction of hydrated product ions I(–)(H(2)O) is observed at low collision energies. This product, as well as the dominant I(–), is formed predominantly through indirect reaction mechanisms. In contrast, a much smaller indirect fraction is determined for the unsolvated reaction. At the largest studied collision energies, the solvated reaction is found to also occur via a direct rebound mechanism. The measured product angular distributions exhibit an overall good agreement with the simulated angular distributions. Besides nucleophilic substitution, also ligand exchange reactions forming F(–)(CH(3)I) and, at high collision energies, proton transfer reactions are detected. The differential scattering images reveal that the Cl(–)(H(2)O) + CH(3)I reaction also proceeds predominantly via indirect reaction mechanisms. |
format | Online Article Text |
id | pubmed-7197043 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2020 |
publisher | American Chemical
Society |
record_format | MEDLINE/PubMed |
spelling | pubmed-71970432020-05-05 Imaging Reaction Dynamics of F(–)(H(2)O) and Cl(–)(H(2)O) with CH(3)I Bastian, Björn Michaelsen, Tim Li, Lulu Ončák, Milan Meyer, Jennifer Zhang, Dong H. Wester, Roland J Phys Chem A [Image: see text] The dynamics of microhydrated nucleophilic substitution reactions have been studied using crossed beam velocity map imaging experiments and quasiclassical trajectory simulations at different collision energies between 0.3 and 2.6 eV. For F(–)(H(2)O) reacting with CH(3)I, a small fraction of hydrated product ions I(–)(H(2)O) is observed at low collision energies. This product, as well as the dominant I(–), is formed predominantly through indirect reaction mechanisms. In contrast, a much smaller indirect fraction is determined for the unsolvated reaction. At the largest studied collision energies, the solvated reaction is found to also occur via a direct rebound mechanism. The measured product angular distributions exhibit an overall good agreement with the simulated angular distributions. Besides nucleophilic substitution, also ligand exchange reactions forming F(–)(CH(3)I) and, at high collision energies, proton transfer reactions are detected. The differential scattering images reveal that the Cl(–)(H(2)O) + CH(3)I reaction also proceeds predominantly via indirect reaction mechanisms. American Chemical Society 2020-02-12 2020-03-12 /pmc/articles/PMC7197043/ /pubmed/32050071 http://dx.doi.org/10.1021/acs.jpca.0c00098 Text en Copyright © 2020 American Chemical Society This is an open access article published under a Creative Commons Attribution (CC-BY) License (http://pubs.acs.org/page/policy/authorchoice_ccby_termsofuse.html) , which permits unrestricted use, distribution and reproduction in any medium, provided the author and source are cited. |
spellingShingle | Bastian, Björn Michaelsen, Tim Li, Lulu Ončák, Milan Meyer, Jennifer Zhang, Dong H. Wester, Roland Imaging Reaction Dynamics of F(–)(H(2)O) and Cl(–)(H(2)O) with CH(3)I |
title | Imaging Reaction Dynamics of F(–)(H(2)O)
and Cl(–)(H(2)O) with CH(3)I |
title_full | Imaging Reaction Dynamics of F(–)(H(2)O)
and Cl(–)(H(2)O) with CH(3)I |
title_fullStr | Imaging Reaction Dynamics of F(–)(H(2)O)
and Cl(–)(H(2)O) with CH(3)I |
title_full_unstemmed | Imaging Reaction Dynamics of F(–)(H(2)O)
and Cl(–)(H(2)O) with CH(3)I |
title_short | Imaging Reaction Dynamics of F(–)(H(2)O)
and Cl(–)(H(2)O) with CH(3)I |
title_sort | imaging reaction dynamics of f(–)(h(2)o)
and cl(–)(h(2)o) with ch(3)i |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7197043/ https://www.ncbi.nlm.nih.gov/pubmed/32050071 http://dx.doi.org/10.1021/acs.jpca.0c00098 |
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