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Complementariedad geométrica en el ensamblaje y el reconocimiento de huéspedes de un cis-[Pd2 LA2 LB2] Jaula de
Witold M Bloch1, Yoko Abe1, Julian J Holstein1
1Faculty of Chemistry and Chemical Biology, TU Dortmund University , Otto-Hahn-Straße 6, 44227 Dortmund, Germany.
Journal of the American Chemical Society
|September 23, 2016
Resumen
Los investigadores ensamblaron racionalmente una nueva jaula de coordinación de paladio heteroléptica utilizando dos ligandos distintos. Esta estrategia de autoensamblaje controlado permite una mayor complejidad y funcionalidad en las arquitecturas supramoleculares.
Área de la Ciencia:
- Química supramolecular
- Química de coordinación
- Ciencias de los materiales
Sus antecedentes:
- Lograr la formación exclusiva de conjuntos multicomponentes es un desafío debido a los factores entrópicos.
- Los cationes de paladio (II) y los ligandos angulares pueden formar jaulas de coordinación homolépticas bien definidas.
- Los métodos existentes luchan con el ensamblaje controlado de estructuras complejas de ligandos mixtos.
Objetivo del estudio:
- Para diseñar racionalmente y ensamblar una jaula de coordinación [Pd2LA2LB2]4+.
- Demostrar un método controlado para crear arquitecturas supramoleculares complejas y de ligando mixto.
- Para explorar el potencial de la jaula ensamblada para aplicaciones como el reconocimiento de formas.
Principales métodos:
- Diseño racional de dos ligandos angulares, LA y LB, con complementariedad geométrica.
- Autoensamblaje de los cationes de paladio (II) con los ligandos diseñados.
- Caracterización mediante análisis de rayos X, ESI-MS, COSY, DOSY y NOESY.
- Análisis computacional mediante el uso de cálculos DFT.
Principales resultados:
- El ensamblaje racional exitoso de una jaula heteroléptica cis-[Pd2LA2LB2]4+ con una arquitectura doblada.
- Formación de jaulas homolépticas ([Pd2LA4]4+ y [Pd4LB8]8+) como productos intermedios o derivados.
- Confirmación de la jaula heteroléptica como el mínimo termodinámico mediante la transformación de jaula a jaula.
- Demostración de la cisconformación de los ligandos dentro de la jaula heteroléptica a través de NOESY y DFT.
Conclusiones:
- La complementariedad geométrica de los ligandos y los nodos metálicos permite la formación controlada de jaulas heterolépticas.
- Esta estrategia proporciona una ruta poderosa para aumentar la complejidad e introducir múltiples funcionalidades en las jaulas autoensambladas.
- La robusta jaula heteroléptica muestra potencial para aplicaciones en el reconocimiento molecular, como la unión selectiva de forma.
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