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Almacenamiento de hidrógeno químico a base de aminaborano: deshidrogenación mejorada de amoniaco borano en líquidos

Martin E Bluhm¹, Mark G Bradley, Robert Butterick

¹Department of Chemistry, University of Pennsylvania, Philadelphia, Pennsylvania 19104-6323, USA.

Journal of the American Chemical Society

|June 15, 2006

Resumen

Los líquidos iónicos mejoran el almacenamiento de hidrógeno amino-borano. El uso de cloruro de 1-butilo-3-metilimidazolio aumenta las tasas de liberación de hidrógeno y la extensión de la deshidrogenación del amoniaco borano, mostrando una promesa para sistemas eficientes de almacenamiento de hidrógeno químico.

Área de la Ciencia:

Ciencia de los materiales Ciencia de los materiales.
Ingeniería Química Ingeniería Química.
La electroquímica es electroquímica.

Sus antecedentes:

Los compuestos de amina-borano son prometedores para el almacenamiento químico de hidrógeno.
La liberación eficiente de hidrógeno de estos materiales sigue siendo un desafío.
Los líquidos iónicos ofrecen propiedades únicas de disolvente para las reacciones químicas.

Objetivo del estudio:

Investigar la eficacia de los líquidos iónicos como medios para la deshidrogenación de amina-borano.
Para evaluar el impacto de los líquidos iónicos en la cinética de liberación de hidrógeno y rendimiento.
Para identificar los productos de reacción formados durante la deshidrogenación en líquidos iónicos.

Principales métodos:

Las reacciones de deshidrogenación del amoniaco borano se llevaron a cabo a 85, 90 y 95 °C.
Las reacciones se realizaron en el líquido iónico cloruro de 1-butilo-3-metilimidazolio y se compararon con las reacciones en estado sólido.
Se empleó la espectroscopia de Resonancia Magnética Nuclear (RMN) y los cálculos de desplazamiento químico de la Teoría Funcional de Densidad (DFT) / GIAO.

Principales resultados:

La liberación de hidrógeno de la deshidrogenación del amoniaco borano se mejoró significativamente en el cloruro de 1-butilo-3-metilimidazolio en comparación con las reacciones en estado sólido.
Se observaron mayores tasas de reacción y grado de liberación de hidrógeno a temperaturas elevadas (85-95 °C).
Los cálculos de RMN y DFT identificaron el poliaminoborane y el diammoniato de diborane, [NH3]2BH2+]BH4-, como productos de la reacción inicial.

Conclusiones:

Los líquidos iónicos, específicamente el cloruro de 1-butilo-3-metilimidazolio, son medios ventajosos para el almacenamiento de hidrógeno químico a base de amina-borano.
El uso de este líquido iónico acelera y aumenta la eficiencia de la liberación de hidrógeno del amoniaco borano.
Comprender los productos de reacción es crucial para optimizar estos sistemas de almacenamiento de hidrógeno.

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