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Orientación controlada de las moléculas huéspedes policonjugadas en las cavidades sintonizables del huésped

Airon C Soegiarto¹, Angiolina Comotti, Michael D Ward

¹Department of Materials Science and INSTM, University of Milano Bicocca, Via R. Cozzi 53, 20125 Milan, Italy.

Journal of the American Chemical Society

|September 28, 2010

Resumen

Los investigadores crearon compuestos de inclusión anfitrión-invitado sintonizables utilizando marcos de organodisulfonato de guanidinio (GDS). El ajuste de las longitudes de los huéspedes y pilares controla con precisión la arquitectura del marco y la disposición de los huéspedes, lo que afecta las propiedades ópticas.

Área de la Ciencia:

Se trata de una química supramolecular.
Ingeniería de Cristal Ingeniería de Cristal.
Ciencia de los materiales ciencia de los materiales.

Sus antecedentes:

Las estructuras de organodisulfonato de guanidinio (GDS) forman compuestos de inclusión con huéspedes lineales.
La arquitectura del marco está modelada por moléculas de invitados, lo que influye en la orientación y agregación de los invitados.
Controlar las interacciones anfitrión-invitado es clave para diseñar materiales funcionales.

Objetivo del estudio:

Investigar sistemáticamente la relación entre las longitudes de los huéspedes y los pilares y la arquitectura supramolecular resultante.
Establecer un modelo predictivo para las estructuras cristalinas basado en parámetros moleculares.
Comprender cómo la arquitectura del marco influye en las propiedades ópticas de las moléculas invitadas.

Principales métodos:

Síntesis de compuestos de inclusión con diferentes longitudes de huésped (l(g)) y pilar (l(S-S)).
Análisis de difracción de rayos X para determinar estructuras cristalinas y arquitecturas de marco.
Mediciones espectroscópicas (absorción y emisión) para sondear las propiedades ópticas del invitado.
Ab initio TDDFT cálculos para apoyar las observaciones experimentales.

Principales resultados:

Se desarrolló un diagrama de fase estructural basado en la relación l (g) / l (S-S).
Se observaron arquitecturas bilayeras y de ladrillo, influenciadas por las longitudes de los huéspedes y los pilares.
Los huéspedes más largos formaron matrices de extremo a extremo en estructuras de doble capa debido a las limitaciones del canal.
El aislamiento único de los huéspedes se logró a través de la rotación de pilares en estructuras específicas de dos capas.
Las propiedades ópticas del huésped exhibieron cambios bathocrómicos debido a las interacciones huésped-huésped y las restricciones conformacionales.

Conclusiones:

La relación de longitud de los huéspedes a los pilares es un parámetro crítico para controlar la arquitectura supramolecular en los compuestos de inclusión GDS.
Se estableció un marco predictivo para la estructura cristalina y el embalaje de invitados.
Las interacciones huésped-anfitrión y las restricciones conformacionales alteran significativamente las propiedades fotofísicas del huésped.

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