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Isomerismo en los adyuctos supramoleculares de nanopartículas atómicamente precisas
Abhijit Nag1, Papri Chakraborty1, Ganesan Paramasivam1
1DST Unit of Nanoscience and Thematic Unit of Excellence, Department of Chemistry , Indian Institute of Technology Madras , Chennai - 600036 , India.
Journal of the American Chemical Society
|October 11, 2018
Resumen
Los investigadores descubrieron el isomerismo en los nanocúmulos de plata ([Ag29(BDT) 12(CD) n]3-) utilizando ciclodextrinas. La espectrometría de masas de movilidad iónica separó estos adyuctos supramoleculares únicos, revelando conocimientos estructurales.
Área de la Ciencia:
- Química supramolecular
- Ciencia de las nanopartículas
- Química Física
Sus antecedentes:
- Las nanopartículas atómicamente precisas ofrecen propiedades únicas debido a sus estructuras bien definidas.
- Los adductos supramoleculares se pueden formar encapsulando ligandos dentro de las moléculas huésped.
- Los nanocúmulos metálicos protegidos por ligandos orgánicos exhiben diversos motivos estructurales.
Objetivo del estudio:
- Para investigar el isomerismo en los adductos supramoleculares de los nanocúmulos de plata ([Ag29(BDT) 12(CD) n]3-).
- Para caracterizar los complejos anfitrión-invitado formados entre los nanocúmulos de plata y las ciclodextrinas.
- Para aclarar la base estructural para el isomerismo en estos sistemas.
Principales métodos:
- Espectrometría de masas de movilidad iónica (IM MS) para la separación de isómeros.
- Acoplamiento molecular y teoría funcional de la densidad (DFT) para el análisis estructural.
- Cálculos de la sección transversal de colisión (CCS) para validar las estructuras propuestas.
Principales resultados:
- Se ha demostrado la existencia de isomerismo en los adductos supramoleculares [Ag29(BDT) 12(CD) n]3- para n=2-4.
- Se separaron con éxito diferentes isómeros utilizando el IM MS.
- Se han propuesto estructuras detalladas de los complejos de inclusión, apoyadas por métodos computacionales.
Conclusiones:
- La encapsulación de los ligandos 1,3-benzenediotilo (BDT) por las ciclodextrinas (CD) dentro del sistema [Ag29(BDT) 12(CD) n]3 conduce al isomerismo.
- El IMMS es una herramienta poderosa para separar y caracterizar isómeros de nanoestructuras supramoleculares complejas.
- Los hallazgos proporcionan una comprensión más profunda de las relaciones estructura-propiedad en nanocúmulos metálicos atómicamente precisos.
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