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

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

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XU, 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. 647(18), pp. 1840-1848. ISSN 0863-1786. eISSN 1521-3749. Available under: doi: 10.1002/zaac.202100206

@article{Xu2021Combi-58552, title={A Combined Theoretical and Photoelectron Spectroscopy Study of Al3Hn(n=1–9) clusters}, year={2021}, doi={10.1002/zaac.202100206}, 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.} }

Harris, Rachel M. 2022-09-08T10:04:36Z Bowen, Kit H. Xu, Jing Zhang, Xinxing eng Ganteför, Gerd Li, Xiang Ganteför, Gerd Fu, Lijuan terms-of-use Grubisic, Andrej Grubisic, Andrej Eichhorn, Bryan Harris, Rachel M. 2022-09-08T10:04:36Z Xu, Jing Li, Xiang Fu, Lijuan Combined photoelectron spectroscopic experiments and computational studies have been performed on Al<sub>3</sub>H<sub>n</sub><sup>−</sup> (n=1–9) clusters. Three modes of hydrogen bonding to the Al<sub>3</sub> moiety have been observed: terminal, bridging, and capping. Among various hydrides, Al<sub>3</sub>H<sub>5</sub><sup>−</sup> and Al<sub>3</sub>H<sub>8</sub><sup>−</sup> 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<sub>2</sub> groups, representing the tetrahedral coordination of the Al atom, which in turn led to the stoichiometric ring structure. Wang, Haopeng 2021 A Combined Theoretical and Photoelectron Spectroscopy Study of Al<sub>3</sub>H<sub>n</sub><sup>−</sup>(n=1–9) clusters Zhang, Xinxing Bowen, Kit H. Wang, Haopeng Eichhorn, Bryan

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