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Estructura XRD de cristal único y análisis teórico del racimo quiral Au30S(S-t-Bu) 18

David Crasto¹, Sami Malola, Grace Brosofsky

¹Department of Chemistry and Biochemistry, University of Mississippi , University, Mississippi 38677, United States.

Journal of the American Chemical Society

|March 11, 2014

Resumen

Este estudio detalla la estructura de un nuevo cúmulo de sulfuro de oro, Au30S(S-t-Bu)18, revelando una estructura única del núcleo de oro. Este hallazgo avanza en la comprensión de cómo los tiolados voluminosos estabilizan los racimos de oro.

Área de la Ciencia:

Química Inorgánica La Química Inorgánica es la química inorgánica.
Ciencia de los materiales Ciencia de los materiales.
Nanotecnología La nanotecnología es la nanotecnología.

Sus antecedentes:

Los grupos de oro estabilizado con tiolato son de gran interés debido a sus propiedades únicas.
El más grande, el más grande.
El oro verde, el oro verde.
El compuesto, Au30(S-t-Bu)18, representa un avance reciente en este campo.

Objetivo del estudio:

Para caracterizar estructuralmente el nuevo cúmulo de sulfuro de oro, Au30S(S-t-Bu)18.
Para investigar la relación entre su estructura central y la de otros grupos de oro estabilizados con tiol.
Para dilucidar el papel de los tiolatos voluminosos en la formación y estabilización de grupos.

Principales métodos:

Difracción de rayos X monocristalino (XRD) para la determinación estructural.
Cálculos de la teoría funcional de la densidad (DFT) para el análisis de la estructura electrónica.
Cálculo de espectros de dicroísmo circular (CD) para su comparación con compuestos relacionados.

Principales resultados:

Se resolvió la estructura molecular de Au30S(S-t-Bu)18, revelando una capa protectora con diversas unidades de oro-tiolato y una nueva coordinación μ3-azufre.
El núcleo de oro quiral comparte similitudes geométricas con el núcleo de Au28 ((SPh-t-Bu) 20.
Ambos enantiómeros de Au30S(S-t-Bu) 18 fueron identificados en la red cristalina, y su espectro de CD calculado coincidía estrechamente con el de Au28(SPh-t-Bu) 20.

Conclusiones:

Este trabajo presenta la primera instancia de dos grupos de oro estabilizado con tiol estructuralmente caracterizados que exhiben estructuras de núcleo metálico muy similares.
Los hallazgos sugieren que los tiolatos voluminosos pueden desempeñar un papel crucial en dictar la formación de arquitecturas específicas de racimos de oro.
Esta investigación contribuye a una comprensión más profunda de los principios que rigen la síntesis y la diversidad estructural de los nanoclusters de oro.

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