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Diarsine- vs diphosphine-protected Au-13 clusters : Effect of subtle geometric differences on optical property and electronic structure

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Please use this identifier to cite or link to this item:http://hdl.handle.net/2115/86509

Title: Diarsine- vs diphosphine-protected Au-13 clusters : Effect of subtle geometric differences on optical property and electronic structure
Authors: Shichibu, Yukatsu Browse this author →KAKEN DB
Zhang, Fan Browse this author
Chen, Yuxiang Browse this author
Konishi, Masafumi Browse this author
Tanaka, Susumu Browse this author
Imoto, Hiroaki Browse this author →KAKEN DB
Naka, Kensuke Browse this author →KAKEN DB
Konishi, Katsuaki Browse this author →KAKEN DB
Issue Date: 7-Aug-2021
Publisher: American Institute of Physics (AIP)
Journal Title: Journal of Chemical Physics
Volume: 155
Issue: 5
Start Page: 054301
Publisher DOI: 10.1063/5.0059607
Abstract: In the design of ligand-protected metal clusters, the choice of protecting ligands is a critical factor because they can profoundly affect the nuclearity, geometry, and electronic structures to afford a diverse range of cluster compounds. Here, we report the synthesis of two novel diarsine-protected Au-13 clusters ([Au13L5Cl2](3+), L = diarsine) and compare these clusters with diphosphine analogs in terms of the core geometry and optical properties. In the crystal structure, the cluster bearing C3-bridged diarsines {[Au-13(dpap)(5)Cl-2](3+), 3} had an apparently identical icosahedral Au-13 core to [Au-13(dppe)(5)Cl-2](3+) (1) with C2-bridged diphosphines, but slight structural differences associated with the bridging unit of the ligands were found. Despite similar icosahedral Au-13 cores 1 and 3, their absorption and photoluminescence profiles were evidently different. Theoretical calculations revealed that the subtle deformation of the Au-13 icosahedron, rather than the coordinating atoms (As or P), notably influences the electronic structure to cause the difference in the absorption profiles.
Rights: This article may be downloaded for personal use only. Any other use requires prior permission of the author and AIP Publishing. This article appeared in Journal of Chemical Physics, 155(5), 07 August 2021, 054301 and may be found at https://doi.org/10.1063/5.0059607.
Type: article
URI: http://hdl.handle.net/2115/86509
Appears in Collections:環境科学院・地球環境科学研究院 (Graduate School of Environmental Science / Faculty of Environmental Earth Science) > 雑誌発表論文等 (Peer-reviewed Journal Articles, etc)

Submitter: 七分 勇勝

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