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Synthesis of Near-Infrared Emitting Gold Nanoclusters for Biological Applications
Published on: March 22, 2020
Probeando la evolución estructural de los grupos de oro de tamaño mediano: Au (n) (n = 27-35)
1Department of Chemistry and Nebraska Center for Materials and Nanoscience, University of Nebraska-Lincoln, Lincoln, Nebraska 68588, USA.
Journal of the American Chemical Society
|April 22, 2010
Resumen
Los investigadores estudiaron los cúmulos de oro (Au) utilizando espectroscopia y teoría de fotoelectrones. Descubrieron estructuras de núcleo-capa, con núcleos tetraédricos que aparecen en grupos más grandes, cruciales para la comprensión de la catálisis de nanopartículas.
Área de la Ciencia:
- La Química Física es la química física.
- Ciencia de los materiales Ciencia de los materiales.
- Química computacional es la química computacional.
Sus antecedentes:
- Comprender la estructura de los grupos de oro es clave para sus aplicaciones catalíticas.
- Los grupos de oro de tamaño mediano exhiben una evolución estructural compleja.
Objetivo del estudio:
- Para investigar la evolución estructural de los grupos de oro cargados negativamente (Au(n) ((-)) para n = 27-35.
- Para identificar isómeros bajos y estructuras mínimas globales.
Principales métodos:
- Espectroscopia de fotoelectrones (PES) con haces supersónicos Ar-semeados He para el enfriamiento de racimos.
- Cálculos de la teoría de la densidad funcional (DFT) para búsquedas mínimas globales.
- Algoritmo de salto de cuenca para generar más de 200 isómeros bajos por racimo.
Principales resultados:
- Los espectros PES bien resueltos revelaron isómeros bajos.
- Estructuras identificadas del núcleo de la cáscara para Au (n) (n = 27, 28, 30, 32-35).
- Se observó un aumento en el número de átomos del núcleo con el tamaño del racimo, incluyendo núcleos de un átomo, triangulares y tetraédricos.
Conclusiones:
- Los núcleos tetraédricos prevalecen en las estructuras bajas Au{33-35) }{-}.
- Las ideas estructurales proporcionan una base para futuros estudios de quimiosorbción y catálisis.
- El estudio aclara el paisaje estructural de los aniones del racimo de oro de tamaño mediano.
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