Proton, Hydride, Or Neither? The Identity Of H In The Au9(pph3)8h2+ Cluster

Morales Hernandez, Hanna

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https://hdl.handle.net/2142/116787 Copy

Description

Title

Proton, Hydride, Or Neither? The Identity Of H In The Au9(pph3)8h2+ Cluster

Author(s)

Morales Hernandez, Hanna

Contributor(s)

• Johnson, Christopher J.
• Fagan, Jonathan Wood

Issue Date

2022-06-21

Keyword(s)

Vibrational structure/frequencies

Abstract

The diverse tunability of gold nanoclusters via size, geometry, and ligand chemistry allows them to be optimized for greater catalytic activity, selectivity, and optoelectronic properties. The binding of a hydride to Au$_{9}$(PPh$_{3}$)$_{8}$$^{3+}$ to form Au$_{9}$(PPh$_{3}$)$_{8}$H$^{2+}$ has raised the question of whether the hydride behaves as a metal dopant which donates its two electrons to the Au core or whether it behaves as an electron-withdrawing ligand such as Cl$^{-}$ and Br$^{-}$. We previously showed significant similarities between its electronic absorption spectrum to that of Au$_{9}$(PPh$_{3}$)$_{8}$Cl$^{2+}$ and Au$_{9}$(PPh$_{3}$)$_{8}$Br$^{2+}$, but follow-up theoretical work suggested that this was a coincidence. Here we analyze the infrared absorption spectra of Au$_{9}$(PPh$_{3}$)$_{8}$H$^{2+}$ with a single N$_{2}$ or H$_{2}$O molecule physiosorbed onto the cluster to further elucidate the role of the hydride in Au$_{9}$(PPh$_{3}$)$_{8}$H$^{2+}$.

Publisher

International Symposium on Molecular Spectroscopy

Type of Resource

text

Language

eng

Handle URL

https://hdl.handle.net/2142/116787&&

DOI

https://doi.org/10.15278/isms.2022.TG10

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Copyright 2022 held by the authors

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