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

Authors

Jing Xu, Jilin University
Xinxing Zhang, Johns Hopkins University
Haopeng Wang, Johns Hopkins University
Lijuan Fu, Jilin University
Xiang Li, Johns Hopkins University
Andrej Grubisic, Johns Hopkins University
Rachel M. Harris, Johns Hopkins University
Bryan Eichhorn, University of Maryland at College Park
Gerd Gantefoer, Johns Hopkins University
Yihong Ding, Jilin University
Boggavarapu Kiran, McNeese State University
Anil K. Kandalam, West Chester University of PennsylvaniaFollow
Kit H. Bowen, Johns Hopkins University

Document Type

Article

Publication Date

8-2021

Abstract

Combined photoelectron spectroscopic experiments and computational studies have been performed on Al3Hn- (n=1-9) clusters. Three modes of hydrogen bonding to the Al-3 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.

Publication Title

Journal of Inorganic and General Chemistry - Zeitschrift für anorganische und allgemeine Chemie

ISSN

0044-2313

Publisher

Wiley

First Page

1

Last Page

10

DOI

10.1002/zaac.202100206

Recommended Citation

Xu, J., Zhang, X., Wang, H., Fu, L., Li, X., Grubisic, A., Harris, R. M., Eichhorn, B., Gantefoer, G., Ding, Y., Kiran, B., Kandalam, A. K., & Bowen, K. H. (2021). A Combined Theoretical and Photoelectron Spectroscopy Study of Al3Hn- (n=1-9) clusters. Journal of Inorganic and General Chemistry - Zeitschrift für anorganische und allgemeine Chemie, 1-10. http://dx.doi.org/10.1002/zaac.202100206