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El polimorfismo inducido por solventes de las redes tridimensionales de enlaces de hidrógeno de hexakis
Kenji Kobayashi1, Azumi Sato, Shigeru Sakamoto
1Department of Chemistry, Faculty of Science, Shizuoka University, 836 Ohya, Shizuoka 422-8529, Japan. skkobay@ipc.shizuoka.ac.jp
Journal of the American Chemical Society
|March 6, 2003
Resumen
Las estructuras cristalinas del hexakis ((4-carbamoylphenyl) benceno (1) exhiben un isomerismo topológico inducido por disolventes, formando tres distintas redes porosas en 3D con enlaces de hidrógeno (tipos A, B y C) en función de las condiciones de cristalización.
Área de la Ciencia:
- Ingeniería de Cristal Ingeniería de Cristal.
- Química supramolecular de las moléculas.
- Ciencia de los materiales Ciencia de los materiales.
Sus antecedentes:
- El hexakis ((4-carbamoylphenyl) benceno (1) posee una estructura hexagonal radialmente funcionalizada con seis grupos amídicos primarios.
- Las redes de enlaces de hidrógeno son cruciales para el diseño de materiales porosos con propiedades sintonizables.
Objetivo del estudio:
- Determinar las estructuras cristalinas de tres diferentes redes tridimensionales (3-D) de enlaces de hidrógeno del compuesto 1.
- Investigar la influencia de las condiciones de cristalización en la morfología y porosidad de la red.
Principales métodos:
- Se empleó un análisis de difracción de rayos X monocristalino para dilucidar las estructuras cristalinas.
- La cristalización se realizó utilizando varios disolventes, incluido DMSO, mezclas de n-PrOH / agua y condiciones hidrotermales.
Principales resultados:
- La red de tipo A (1.12DMSO) formaba una estructura tridimensional altamente porosa con canales a lo largo del eje c a través de cadenas de catémeros 1-D.
- La red de tipo B (1.6n-PrOH) exhibió una estructura porosa tridimensional con canales en forma de triángulo a lo largo del eje a través de dímeros cíclicos.
- La red de tipo C (1.H2O) dio como resultado una estructura de cadena tridimensional no porosa en condiciones hidrotermales.
Conclusiones:
- El isomerismo topológico inducido por solvente en el compuesto 1 conduce a diversas arquitecturas de red 3D enlazadas con hidrógeno.
- El isomerismo observado se atribuye a la capacidad de inclusión de invitados, las interacciones de enlace de hidrógeno y la polaridad del disolvente.
- Comprender estas relaciones estructura-propiedad es clave para el diseño de nuevos materiales porosos.
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