Reaction Dynamics of Temperature-Variable Anion Water Clusters Studied with Crossed Beams and by Direct Dynamics
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.
Otto, R., J. Xie, J. Brox, S. Trippel, M. Stei, T. Best, M. R. Siebert, W. L. Hase, and R. Wester. "Reaction dynamics of temperature-variable anion water clusters studied with crossed beams and by direct dynamics." Faraday discussions 157 (2012): 41-57.