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  Gas-Phase Vibrational Spectroscopy of the Aluminum Oxide Anions (Al2O3)1-6AlO2-

Song, X., Fagiani, M. R., Gewinner, S., Schöllkopf, W., Asmis, K. R., Bischoff, F. A., et al. (2017). Gas-Phase Vibrational Spectroscopy of the Aluminum Oxide Anions (Al2O3)1-6AlO2-. ChemPhysChem, 18(8), 868-872. doi:10.1002/cphc.201700089.

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 Creators:
Song, Xiaowei1, 2, Author              
Fagiani, Matias Ruben1, 2, Author              
Gewinner, Sandy1, Author              
Schöllkopf, Wieland1, Author              
Asmis, Knut R. 2, Author
Bischoff, Florian A. 3, Author
Berger, Fabian 3, Author
Sauer, Joachim 3, Author
Affiliations:
1Molecular Physics, Fritz Haber Institute, Max Planck Society, ou_634545              
2Wilhelm-Ostwald-Institut für Physikalische und Theoretische Chemie, Universität Leipzig , Linnéstrasse 2, D-04103 Leipzig, Germany, ou_persistent22              
3Institut für Chemie, Humboldt-Universität zu Berlin, Unter den Linden 6, D-10099 Berlin, Germany, ou_persistent22              

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Free keywords: aluminium oxide; cryogenic ion trap; density functional theory; gas phase clusters; infrared photodissociation
 Abstract: We use cryogenic ion trap vibrational spectroscopy in combination with density functional theory to probe, how the structural variability of aluminas manifest itself in the structures of the gas phase clusters (Al2O3)nAlO2- with n = 1-6. The infrared photodissociation spectra of the D2-tagged complexes, measured in the fingerprint spectral range (400-1200 cm-1), are rich in spectral features and start approaching the vibrational spectrum of amorphous alumina particles for n > 4. Aided by a genetic algorithm, we find a trend towards the formation of irregular structures for larger n, with the exception of n = 4, which exhibits a C3v ground state structure. Locating the global minima of the larger systems proves challenging.

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Language(s): eng - English
 Dates: 2017-01-272017-02-242017-03-15
 Publication Status: Published online
 Pages: 5
 Publishing info: -
 Table of Contents: -
 Rev. Type: Peer
 Identifiers: DOI: 10.1002/cphc.201700089
 Degree: -

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Title: ChemPhysChem
Source Genre: Journal
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Publ. Info: Weinheim, Germany : Wiley-VCH
Pages: - Volume / Issue: 18 (8) Sequence Number: - Start / End Page: 868 - 872 Identifier: ISSN: 1439-4235
CoNE: https://pure.mpg.de/cone/journals/resource/954925409790