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Adición de dihidrógeno en un complejo de hidruro de metal de tierras raras dinuclear apoyado por un ligando TREN

Ajay Venugopal¹, Waldemar Fegler, Thomas P Spaniol

¹Institute of Inorganic Chemistry, RWTH Aachen University, Landoltweg 1, 52056 Aachen, Germany.

Journal of the American Chemical Society

|October 12, 2011

Resumen

Las dicasiones de dihidruro de lutecio dinuclear reaccionan con el hidrógeno para formar dicasiones de trihidruro. El análisis de órbitas moleculares revela un orbital de unión crucial para la activación del dihidrógeno en esta nueva reacción.

Área de la Ciencia:

Química organometálica de las sustancias orgánicas.
Química inorgánica y inorgánica.
La química de la coordinación es química de la coordinación.

Sus antecedentes:

Los complejos de lutecio dinuclear son relativamente inexplorados.
Los ligandos trípodes metalizados ofrecen entornos de coordinación únicos.
Comprender la reactividad del ligando de hidruro es clave en la síntesis inorgánica.

Objetivo del estudio:

Para investigar la reactividad de las dicciones de dihidruro de lutecio dinuclear.
Para explorar la formación de las especies trihidruro.
Para dilucidar la estructura electrónica que rige la activación del hidrógeno.

Principales métodos:

Síntesis de complejos de dicatión de dihidruro de lutecio dinuclear.
Reacciones de hidrogenólisis con hidrógeno molecular (H2).
Análisis de órbitales moleculares (MO). análisis.

Principales resultados:

Se logró una fácil hidrogenólisis de la dicción de dihidruro de lutecio dinuclear a una dicción de trihidruro.
El orbital molecular desocupado más bajo (LUMO) fue identificado como un orbital Lu-Lu de enlace.
Este LUMO está posicionado para facilitar la activación del dihidrógeno.

Conclusiones:

Los complejos de lutecio dinuclear pueden soportar múltiples ligandos hidruro.
La estructura electrónica de estos complejos juega un papel crítico en la activación de H2.
Este estudio proporciona información sobre la reactividad fundamental de los compuestos de hidruro de lutecio.

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