Determination Of The Structures Of Silicon And Metal Doped Silicon Clusters

Lyon, Jonathan T

Permalink

https://hdl.handle.net/2142/50936 Copy

Description

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

Issue Date

2014-06-19

Keyword(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.

Publisher

International Symposium on Molecular Spectroscopy

Type of Resource

text

Language

English

Permalink

http://hdl.handle.net/2142/50936

DOI

https://doi.org/10.15278/isms.2014.RG14

Copyright and License Information

Copyright 2014 by the authors. Licensed under a Creative Commons Attribution 4.0 International License. http://creativecommons.org/licenses/by/4.0/

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