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Characterization of the Effects of Ligands on Bonding and σ-Aromaticity of Small Pt Nanoclusters

[Image: see text] Nanoclusters, particularly gold nanoclusters, have attracted the attention of researchers due to their potential applications in the medicine and energy fields. Other noble-metal nanoclusters, including Pt, have also been studied, but in lesser detail. Pt is known for its excellent...

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Detalles Bibliográficos
Autores principales: Reid, Samantha, Hernández, Heriberto
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10201524/
https://www.ncbi.nlm.nih.gov/pubmed/37155193
http://dx.doi.org/10.1021/acs.jpca.2c08614
Descripción
Sumario:[Image: see text] Nanoclusters, particularly gold nanoclusters, have attracted the attention of researchers due to their potential applications in the medicine and energy fields. Other noble-metal nanoclusters, including Pt, have also been studied, but in lesser detail. Pt is known for its excellent catalytic properties and is a promising candidate for applications in catalysis and biomedicine. In this study, we used density functional theory to elucidate the molecular and electronic structures of small phosphine-ligated Pt nanoclusters. This study is directed at identifying highly stable platinum clusters. Our results show that phosphine-ligated platinum nanoclusters with σ-aromaticity have high stability. In addition, we were able to predict the most stable clusters using an electron counting equation.