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Controlling the Size, Shape and Stability of Supramolecular Polymers in Water
Published on: August 2, 2012
Redes tubulares de enlaces de hidrógeno sostenidas por moléculas de agua
H Carrasco1, C Foces-Foces, C Pérez
1Departamento de Bioorgánica, Instituto de Investigaciones Químicas, CSIC, Américo Vespucio, s/n, Isla de la Cartuja, 41092 Seville, Spain.
Journal of the American Chemical Society
|November 29, 2001
Resumen
El control de la topología de embalaje de cristales a través de fuerzas intermoleculares débiles es clave para los sólidos funcionales. Los sustitutos voluminosos en los ácidos hidroxi forman cintas y láminas, mientras que los sustitutos flexibles con agua forman redes tubulares 3D.
Área de la Ciencia:
- Química supramolecular de las moléculas.
- Ingeniería de Cristal Ingeniería de Cristal.
- Química orgánica del estado sólido.
Sus antecedentes:
- El diseño de sólidos funcionales se basa en el control de la topología de embalaje de cristales a través de fuerzas intermoleculares débiles.
- Anticipar el impacto de los constituyentes moleculares y la estereoquímica en la conformación del agregado cíclico es crucial para las estructuras cristalinas predecibles.
Objetivo del estudio:
- Investigar la influencia de las interacciones estéricas y la flexibilidad del sustituyente en las estructuras de estado sólido de los ácidos hidroxi (+/-) -1.
- Explorar la formación de diferentes conjuntos supramoleculares (cintas, láminas, redes tubulares) basados en la estructura molecular y la hidratación.
Principales métodos:
- Síntesis de hidroxiácidos con estructura general (+/-) -1 y sustituyentes variables.
- Cristalografía de rayos X para determinar las estructuras de estado sólido.
- Análisis de las interacciones intermoleculares, en particular el enlace de hidrógeno y los efectos estéricos.
Principales resultados:
- Los compuestos con sustitutos voluminosos y rígidos (excepto 1b, 1e) formaron cintas 1D y láminas 2D a través de enlaces de hidrógeno ácido carboxílico-alcohol.
- El compuesto (+/-)-1n, con sustitutos flexibles, incorporó agua para formar redes de enlace H tubulares 3D con canales hexagonales.
- Los sustituyentes más pequeños no pudieron formar agregados cíclicos, y las hojas anidras (+/-) -1n se formaron, destacando el papel del agua en las estructuras tubulares.
Conclusiones:
- Las interacciones estéricas y la flexibilidad del sustituto dictan significativamente el ensamblaje supramolecular en los cristales de ácido hidroxi.
- Las moléculas de agua juegan un papel crítico para permitir la formación de complejas redes tubulares 3D.
- El estudio demuestra un efecto de dirección de la estructura del diseño molecular en la arquitectura de estado sólido resultante.
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