Electron Binding Energy Spectra of AlnPt– Clusters─A Combined Experimental and Computational Study
Document Type
Article
Publication Date
6-24-2022
Abstract
Results of size-selected electron photo-detachment experiments and density functional theory calculations on anionic AlnPt–, n = 1–7, clusters are presented and analyzed. The measured and calculated spectra of electron binding energies are, overall, in excellent accord with each other. The analysis reveals the general importance of accounting for the multiplicity of structural forms of a given-size cluster that can contribute to its measured spectrum, especially when the clusters are fluxional and/or the conditions of the experiment allow for structural transitions. We show that for the systems studied here, the size-specific peculiarities of the measured spectra can be understood in terms of the combined contributions of corresponding different accessible stable equilibrium conformations, bona-fide transition-state configurations, and electronic-crossing structures that may play the role of effective barriers in electronically nonadiabatic dynamics.
DOI
https://doi.org/10.1021/acs.jpca.2c03116
Publication Title
The Journal of Physical Chemistry A
Volume Number
126
Issue Number
26
First Page
4123
Last Page
4312
Recommended Citation
Acioli, Paulo H.; Zhang, Xinxing; Bowen, Kit H.; and Jellinek, Julius, "Electron Binding Energy Spectra of AlnPt– Clusters─A Combined Experimental and Computational Study" (2022). Physics Faculty Publications. 13.
https://neiudc.neiu.edu/phy-pub/13