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Photoelectron spectroscopic study of carbon aluminum hydride cluster anions

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2016

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Zhang, Xinxing
Wang, Haopeng
Eichhorn, Bryan W.
Kiran, Boggavarapu
Bowen, Kit H.

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https://doi.org/10.1063/1.4964934
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The Journal of Chemical Physics. 2016, 145(15), 154305. ISSN 0021-9606. eISSN 1089-7690. Available under: doi: 10.1063/1.4964934

Zusammenfassung

Numerous previously unknown carbon aluminum hydride cluster anions were generated in the gas phase, identified by time-of-flight mass spectrometry and characterized by anion photoelectron spectroscopy, revealing their electronic structure. Density functional theory calculations on the CAl5-9H- and CAl5-7H2- found that several of them possess unusually high carbon atom coordination numbers. These cluster compositions have potential as the basis for new energetic materials.

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ISO 690ZHANG, Xinxing, Haopeng WANG, Gerd GANTEFÖR, Bryan W. EICHHORN, Boggavarapu KIRAN, Kit H. BOWEN, 2016. Photoelectron spectroscopic study of carbon aluminum hydride cluster anions. In: The Journal of Chemical Physics. 2016, 145(15), 154305. ISSN 0021-9606. eISSN 1089-7690. Available under: doi: 10.1063/1.4964934
BibTex
@article{Zhang2016-10-21Photo-37642,
  year={2016},
  doi={10.1063/1.4964934},
  title={Photoelectron spectroscopic study of carbon aluminum hydride cluster anions},
  number={15},
  volume={145},
  issn={0021-9606},
  journal={The Journal of Chemical Physics},
  author={Zhang, Xinxing and Wang, Haopeng and Ganteför, Gerd and Eichhorn, Bryan W. and Kiran, Boggavarapu and Bowen, Kit H.},
  note={Article Number: 154305}
}
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    <dcterms:abstract xml:lang="eng">Numerous previously unknown carbon aluminum hydride cluster anions were generated in the gas phase, identified by time-of-flight mass spectrometry and characterized by anion photoelectron spectroscopy, revealing their electronic structure. Density functional theory calculations on the CAl&lt;sub&gt;5-9&lt;/sub&gt;H&lt;sup&gt;-&lt;/sup&gt; and CAl&lt;sub&gt;5-7&lt;/sub&gt;H&lt;sub&gt;2&lt;/sub&gt;&lt;sup&gt;-&lt;/sup&gt; found that several of them possess unusually high carbon atom coordination numbers. These cluster compositions have potential as the basis for new energetic materials.</dcterms:abstract>
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