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A Combined Theoretical and Photoelectron Spectroscopy Study of Al3Hn(n=1–9) clusters

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2021

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Xu, Jing
Zhang, Xinxing
Wang, Haopeng
Fu, Lijuan
Li, Xiang
Grubisic, Andrej
Harris, Rachel M.
Eichhorn, Bryan
Bowen, Kit H.
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Zeitschrift für anorganische und allgemeine Chemie : ZAAC. Wiley-Blackwell - STM. 2021, 647(18), pp. 1840-1848. ISSN 0863-1786. eISSN 1521-3749. Available under: doi: 10.1002/zaac.202100206

Zusammenfassung

Combined photoelectron spectroscopic experiments and computational studies have been performed on Al3Hn (n=1–9) clusters. Three modes of hydrogen bonding to the Al3 moiety have been observed: terminal, bridging, and capping. Among various hydrides, Al3H5 and Al3H8 clusters have highest HOMO-LUMO gap and largest electron affinity, respectively. Our studies indicate that as the number of hydrogen atoms increase the presence of AlH2 groups, representing the tetrahedral coordination of the Al atom, which in turn led to the stoichiometric ring structure.

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ISO 690XU, Jing, Xinxing ZHANG, Haopeng WANG, Lijuan FU, Xiang LI, Andrej GRUBISIC, Rachel M. HARRIS, Bryan EICHHORN, Gerd GANTEFÖR, Kit H. BOWEN, 2021. A Combined Theoretical and Photoelectron Spectroscopy Study of Al3Hn(n=1–9) clusters. In: Zeitschrift für anorganische und allgemeine Chemie : ZAAC. Wiley-Blackwell - STM. 2021, 647(18), pp. 1840-1848. ISSN 0863-1786. eISSN 1521-3749. Available under: doi: 10.1002/zaac.202100206
BibTex
@article{Xu2021Combi-58552,
  year={2021},
  doi={10.1002/zaac.202100206},
  title={A Combined Theoretical and Photoelectron Spectroscopy Study of Al<sub>3</sub>H<sub>n</sub><sup>−</sup>(n=1–9) clusters},
  number={18},
  volume={647},
  issn={0863-1786},
  journal={Zeitschrift für anorganische und allgemeine Chemie : ZAAC},
  pages={1840--1848},
  author={Xu, Jing and Zhang, Xinxing and Wang, Haopeng and Fu, Lijuan and Li, Xiang and Grubisic, Andrej and Harris, Rachel M. and Eichhorn, Bryan and Ganteför, Gerd and Bowen, Kit H.}
}
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