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Regulación de las arquitecturas de los marcos de enlaces de hidrógeno a través de la aplicación topológica
Yuzhou Liu1, Wenchang Xiao, Jin Ju Yi
1The Department of Chemistry and the Molecular Design Institute, New York University , 100 Washington Square East, New York, New York 10003-6688, United States.
Journal of the American Chemical Society
|March 3, 2015
Resumen
La flexibilidad molecular en los organopolissulfonatos controla las estructuras cristalinas. Los enlaces rígidos forman cilindros, los flexibles forman redes lamelares, lo que demuestra un control predecible sobre las arquitecturas de materiales de sulfonato de guanidinio.
Área de la Ciencia:
- Ciencia de los materiales Ciencia de los materiales.
- La cristalografía es una técnica de cristalografía.
- Química supramolecular de las moléculas.
Sus antecedentes:
- Las redes bidimensionales de sulfonato de guanidinio (GS) enlazadas con hidrógeno son materiales cristalinos clave.
- El control de la disposición topológica de estas redes es crucial para el diseño de materiales.
Objetivo del estudio:
- Investigar el papel de la flexibilidad conformacional en los enlaces organopolissulfonados en las arquitecturas cristalinas resultantes de las redes GS.
- Para demostrar un control predecible sobre las estructuras lamelares versus cilíndricas a través del diseño molecular.
Principales métodos:
- Síntesis de organopolisulfonatos con diversos grados de flexibilidad conformacional y simetría molecular.
- Estudios de cristalización de las redes de sulfonato de guanidinio (GS) utilizando estos organopolissulfonatos.
- Análisis estructural utilizando difracción de rayos X y otras técnicas cristalográficas.
Principales resultados:
- Los enlaces de organopolisulfonato flexibles se autoensamblan en arquitecturas lamelares.
- Los enlaces rígidos de organopolisulfonato obligan a la formación de cilindros enlazados por hidrógeno con espaciados dependientes del tamaño del enlace.
- Los trisulfonatos con simetría triple producen estructuras cilíndricas hexagonales, topológicamente equivalentes a los compuestos de inclusión anteriores, pero con interconexiones covalentes.
Conclusiones:
- La flexibilidad conformacional y la simetría molecular de los organopolisulfonatos son parámetros críticos para dirigir el autoensamblaje de las redes GS hacia arquitecturas cristalinas específicas.
- Se puede lograr un control predecible sobre los marcos GS lamelares y cilíndricos adaptando las propiedades moleculares de los bloques de construcción de organopolissulfonatos.
- Este trabajo proporciona una base para el diseño de nuevos materiales cristalinos con propiedades topológicas sintonizables.
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