Memorias de investigación
Communications at congresses:
Effect of Phase Space Structure in an Isomerization Reaction in the presence of a bath. Effect of Density and Temperature
Year:2015

Research Areas
  • Physics chemical and mathematical

Information
Abstract
The isomerization between CN-Li and Li-CN in an argon bath provides a paradigmatic example of a reaction in a solvent with tunable coupling. In previous work, we found that the rates exhibited a turnover with the density of the argon bath in the limit that the CN bond was held fixed [J. Chem. Phys. 137, 204301 (2012).] Here, we report the effect of the CN bond vibration on the dynamics and the persistence of the turnover. As hypothesized earlier, the CN bond is indeed weakly coupled with the reaction path despite the presence of the argon cage.
International
Si
Congress
Geometry of Chemical Reaction Dynamics in Gas and Condensed Phases [https://sites.google.com/site/tsrcgeometryofreaction]
960
Place
Telluride (Colorado, USA)
Reviewers
Si
ISBN/ISSN
0000-0000
Start Date
10/06/2015
End Date
14/06/2015
From page
10
To page
10
Geometry of Chemical Reaction Dynamics in Gas and Condensed Phases - Abstracts
Participants

Research Group, Departaments and Institutes related
  • Creador: Grupo de Investigación: Grupo de Sistemas Complejos
  • Departamento: Ingeniería Agroforestal