4.2 Article

Reaction dynamics of temperature-variable anion water clusters studied with crossed beams and by direct dynamics

Journal

FARADAY DISCUSSIONS
Volume 157, Issue -, Pages 41-57

Publisher

ROYAL SOC CHEMISTRY
DOI: 10.1039/c2fd20013a

Keywords

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Funding

  1. Deutsche Forschungsgemeinschaft [WE 2592/3-2]
  2. Landesgraduiertenforderung Baden-Wurttemberg
  3. Marie Curie Initial Training Network ICONIC
  4. National Science Foundation [CHE-0957416]
  5. Robert A. Welch Foundation [D-0005]
  6. High Performance Computing Center (HPCC) at Texas Tech University (TTU) under direction of Philip W. Smith
  7. Texas Advanced Computing Center (TACC) of the University of Texas at Austin
  8. TTU Department of Chemistry & Biochemistry cluster Robinson
  9. National Science Foundation under CRIF-MU Grant [CHE-0840493]
  10. Direct For Mathematical & Physical Scien
  11. Division Of Chemistry [0957521] Funding Source: National Science Foundation
  12. Direct For Mathematical & Physical Scien
  13. Division Of Chemistry [0840493] Funding Source: National Science Foundation

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We present a study of the different product channels in the reactions of OH- and OH- (H2O) with methyl iodide over a range of collision energies. Direct dynamics classical trajectory simulations are employed to obtain an atomistic comparison with the experimental results. For the experiments we have combined a crossed beam ion imaging setup with a multipole rf ion trap. The trap allows us to prepare the molecular and cluster ions with a controlled internal temperature and thus provides well-defined initial conditions for reaction experiments at low collision energy. Changing the internal temperature of the cluster ions was found to have a profound effect on their reactivity.

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