A size resolved investigation of large water clusters

Buck, Udo; Pradzynski, C. C.; Zeuch, T.; Dieterich, J. M.; Hartke, B.

doi:10.1039/C3CP55185G

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A size resolved investigation of large water clusters

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Buck, Udo
Research Group Clusterdynamik, Max Planck Institute for Dynamics and Self-Organization, Max Planck Society;

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Buck, U., Pradzynski, C. C., Zeuch, T., Dieterich, J. M., & Hartke, B. (2014). A size resolved investigation of large water clusters. Physical Chemistry Chemical Physics, 16(15), 6859-6871. doi:10.1039/C3CP55185G.

Zitierlink: https://hdl.handle.net/11858/00-001M-0000-002A-5E56-6

Zusammenfassung

Size selected water clusters are generated by photoionizing sodium doped clusters close to the ionization threshold. This procedure is free of fragmentation. Upon infrared excitation, size- and isomer-specific OH-stretch spectra are obtained over a large range of cluster sizes. In one application of this method the infrared spectra of single water cluster sizes are investigated. A comparison with calculations, based on structures optimized by genetic algorithms, has been made to tentatively derive cluster structures which reproduce the experimental spectra. We identified a single all-surface structure for n = 25 and mixtures with one or two interior molecules for n = 24 and 32. In another application the sizes are determined at which the crystallization sets in. Surprisingly, this process strongly depends on the cluster temperature. The crystallization starts at sizes below n = 200 at higher temperatures and the onset is shifted to sizes above n = 400 at lower temperatures.