1. A Combined Theoretical and Photoelectron Spectroscopy Study of Al3Hn− (n=1–9) clusters.
- Author
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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., and Bowen, Kit H.
- Subjects
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PHOTOELECTRON spectroscopy , *ELECTRON affinity , *HYDROGEN bonding , *PHOTOELECTRONS , *HYDRIDES , *HYDROGEN atom - Abstract
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. [ABSTRACT FROM AUTHOR]
- Published
- 2021
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