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Identificación de una jaula de coordinación heteroléptica mediante el cribado de una biblioteca combinatoria virtual

Sylvain Sudan¹, Ru-Jin Li¹, Suzanne M Jansze¹

¹Institut des Sciences et Ingénierie Chimiques, Ecole Polytechnique Fédérale de Lausanne (EPFL), 1015 Lausanne, Switzerland.

Journal of the American Chemical Society

|January 21, 2021

Resumen

Los investigadores desarrollaron un nuevo método de selección para crear complejas jaulas de coordinación de paladio. Este enfoque identificó con éxito una jaula de paladio hexanuclear única con dos ligandos de dipiridil distintos, mostrando un nuevo motivo estructural.

Área de la Ciencia:

Química supramolecular
Química de coordinación
Ciencias de los materiales

Sus antecedentes:

El diseño de jaulas de coordinación heterolépticas estructuralmente definidas es complejo.
Actualmente se conocen pocos ejemplos de estas jaulas.
Los complejos de paladio son versátiles bloques de construcción en la química supramolecular.

Objetivo del estudio:

Desarrollar un nuevo enfoque de selección para la identificación de jaulas de coordinación heterolépticas.
Para sintetizar y caracterizar una nueva jaula de paladio hexanuclear.
Explorar la diversidad estructural de los conjuntos de coordinación basados en el paladio.

Principales métodos:

Preparación de una biblioteca combinatoria virtual de complejos de paladio-dipiridil.
Análisis de las mezclas de reacción mediante técnicas avanzadas.
Síntesis dirigida y elucidación estructural a través de la difracción de rayos X monocristalino.

Principales resultados:

Identificación de una nueva jaula de paladio hexanuclear heteroléptica, [Pd6L6L'6]
La jaula exhibe una estructura trigonal y antiprismática sin precedentes.
Dos macrociclos triangulares Pd3L3 distintos están conectados por seis ligandos L'.
Se sintetizó una jaula relacionada más grande utilizando metalóligandos.

Conclusiones:

El enfoque de selección desarrollado es eficaz para descubrir jaulas de coordinación complejas.
La nueva jaula de paladio representa un avance significativo en la química supramolecular.
Este trabajo abre nuevas vías para diseñar arquitecturas moleculares intrincadas.

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