Jump to main content
Jump to site search
Access to RSC content Close the message box

Continue to access RSC content when you are not at your institution. Follow our step-by-step guide.



Proton transfer dynamics modified by CH-stretching excitation

Author affiliations

Abstract

Gaining insight how specific rovibrational states influence reaction kinetics and dynamics is a fundamental goal of physical chemistry. Purely statistical approaches often fail to predict the influence of a specific state on the reaction outcome, evident in a great number of both experimental and theoretical studies. Most detailed insight in atomistic reaction mechanisms is achieved using accurate collision experiments and high level dynamics calculations. For ion–molecule reactions such experiments are scarce. Here we show the influence of symmetric CH-stretching vibration on the rate and dynamics of proton transfer in the reaction of F + CH3I. We find a pronounced shift in the reaction dynamics for excited reactions from indirect to preferred direct dynamics at higher collision energy. Moreover, excited reactions occur at larger impact parameters. Finally, we compare vibrational excitation with collision energy and find that vibration is overall more efficient in promoting reactivity, which agrees with recent theoretical calculations.

Graphical abstract: Proton transfer dynamics modified by CH-stretching excitation

Back to tab navigation

Article information


Submitted
09 Feb 2020
Accepted
11 Mar 2020
First published
22 Apr 2020

This article is Open Access

Phys. Chem. Chem. Phys., 2020, Advance Article
Article type
Paper

Proton transfer dynamics modified by CH-stretching excitation

T. Michaelsen, B. Bastian, P. Strübin, J. Meyer and R. Wester, Phys. Chem. Chem. Phys., 2020, Advance Article , DOI: 10.1039/D0CP00727G

This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence. Material from this article can be used in other publications provided that the correct acknowledgement is given with the reproduced material and it is not used for commercial purposes.

Reproduced material should be attributed as follows:

  • For reproduction of material from NJC:
    [Original citation] - Published by The Royal Society of Chemistry (RSC) on behalf of the Centre National de la Recherche Scientifique (CNRS) and the RSC.
  • For reproduction of material from PCCP:
    [Original citation] - Published by the PCCP Owner Societies.
  • For reproduction of material from PPS:
    [Original citation] - Published by The Royal Society of Chemistry (RSC) on behalf of the European Society for Photobiology, the European Photochemistry Association, and RSC.
  • For reproduction of material from all other RSC journals:
    [Original citation] - Published by The Royal Society of Chemistry.

Information about reproducing material from RSC articles with different licences is available on our Permission Requests page.


Social activity

Search articles by author

Spotlight

Advertisements