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Title:Determination Of The Structures Of Silicon And Metal Doped Silicon Clusters
Author(s):Lyon, Jonathan T
Contributor(s):Lievens, Peter; Janssens, Ewald; Fielicke, Andre
Subject(s):Mini-symposium: Beyond the Mass-to-Charge Ratio: Spectroscopic Probes of the Structures of Ions
Abstract:Strongly bound clusters are often used as convenient models for bulk material. Silicon clusters are particularly interesting due to their importance in the electronics industry. We perform experimental IR multiple photon dissociation spectroscopy in the gas-phase, which makes use of a free electron laser, and compare the results with that predicted by density functional and MP2 theory calculations. Comparison of the vibrational spectra with that predicted by theoretical calculations for several structural isomers for each cluster size leads to accurate structural assignments. Here, we present our results for silicon clusters,\footnote{Journal of Chemical Physics 2012, 136, 064301.} and compare the structures with those of select transition metal doped Si$_{n}$M clusters.\footnote{e.g., ChemPhysChem 2014, 15, 328.} Of particular interest is the transition from exohedral to endoheral metal doped silicon clusters and how the transition size changes for different metal dopant atoms.
Issue Date:2014-06-19
Publisher:International Symposium on Molecular Spectroscopy
Citation Info:Lyon, J.T.; Lievens, P.; Janssens, E.; Fielicke, A. DETERMINATION OF THE STRUCTURES OF SILICON AND METAL DOPED SILICON CLUSTERS. Proceedings of the International Symposium on Molecular Spectroscopy, Urbana, IL, June 16-21, 2014. DOI: 10.15278/isms.2014.RG14
Rights Information:Copyright 2014 by the authors. Licensed under a Creative Commons Attribution 4.0 International License.
Date Available in IDEALS:2014-09-17

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