A Combined Theoretical and Photoelectron Spectroscopy Study of Al 3 H n − ( n =1–9) clusters

Combined photoelectron spectroscopic experiments and computational studies have been performed on Al 3 H n − ( n =1–9) clusters. Three modes of hydrogen bonding to the Al 3 moiety have been observed: terminal, bridging, and capping. Among various hydrides, Al 3 H 5 − and Al 3 H 8 − clusters have hig...

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Published in:Zeitschrift für anorganische und allgemeine Chemie (1950) 2021-09, Vol.647 (18), p.1840-1848
Main Authors: Xu, Jing, Zhang, Xinxing, Wang, Haopeng, Fu, Lijuan, Li, Xiang, Grubisic, Andrej, Harris, Rachel M., Eichhorn, Bryan, Gantefoer, Gerd, Ding, Yihong, Kiran, Boggavarapu, Kandalam, Anil K., Bowen, Kit H.
Format: Article
Language:English
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Summary:Combined photoelectron spectroscopic experiments and computational studies have been performed on Al 3 H n − ( n =1–9) clusters. Three modes of hydrogen bonding to the Al 3 moiety have been observed: terminal, bridging, and capping. Among various hydrides, Al 3 H 5 − and Al 3 H 8 − 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 AlH 2 groups, representing the tetrahedral coordination of the Al atom, which in turn led to the stoichiometric ring structure.
ISSN:0044-2313
1521-3749
DOI:10.1002/zaac.202100206