Manifestation of the interplay between spin-orbit and Jahn-Teller effects in Au25 superatom UV-Vis fingerprint spectra
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Updated: Jul 30, 2025

Experimental Methods for Spin- and Angle-Resolved Photoemission Spectroscopy Combined with Polarization-Variable Laser
Published on: June 28, 2018
Can Liao1, Manzhou Zhu2, De-En Jiang3
1Department of Chemistry, University of Washington Seattle WA 98195 USA xsli@uw.edu.
Abstract:
Atomically precise nanoclusters play an important role in nanoscale catalysis, photonics, and quantum information science. Their nanochemical properties arise from their unique superatomic electronic structures. As the flagship of atomically precise nanochemistry, the Au25(SR)18 nanocluster exhibits tunable spectroscopic signatures that are sensitive to the oxidation state. This work aims to unravel the physical underpinnings of the spectral progression of Au25(SR)18 nanocluster using variational relativistic time-dependent density functional theory. The investigation will focus on the effects of superatomic spin-orbit coupling, its interplay with Jahn-Teller distortion, and their manifestations in the absorption spectra of Au25(SR)18 nanoclusters of different oxidation states.
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