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Formación en situación de uniones mono-moléculas heterocíclicas de carbenos

Evan A Doud, Michael S Inkpen, Giacomo Lovat

¹Institute of Physics , Academy of Sciences of the Czech Republic , Cukrovarnická 10 , Prague 16200 , Czech Republic.

Journal of the American Chemical Society

|July 4, 2018

Resumen

Los carbenos N-heterocíclicos (NHC) forman uniones estables de una sola molécula para mediciones electrónicas. Su conductancia varía con el átomo de metal coordinado, lo que permite nuevos dispositivos nanoelectrónicos.

Área de la Ciencia:

Química de las superficies
Nanotecnología
La electroquímica

Sus antecedentes:

Los carbenos N-heterocíclicos (NHC) forman monocapas autoensambladas (SAM) muy estables, superando a los SAM tradicionales basados en tiol en estabilidad térmica y química.
Las propiedades electrónicas únicas de los NHC ofrecen un potencial significativo para aplicaciones en nanoelectrónica, detección y electroquímica.
Caracterizar el comportamiento electrónico de los carbenos libres altamente reactivos es un desafío.

Objetivo del estudio:

Investigar el transporte de electrones a través de moléculas unidas a N-heterocíclicos carbenos (NHC).
Establecer un método fiable para medir la conductividad de una sola molécula de NHC en condiciones ambientales.
Explorar la influencia de la coordinación de los metales en las propiedades de transporte electrónico del NHC.

Principales métodos:

Utilizó la técnica de unión de ruptura basada en microscopio de túnel de barrido (STM-BJ) para mediciones de conductividad de una sola molécula.
Se han desarrollado complejos NHC metálicos estables al aire que pueden reducirse electroquímicamente in situ para formar contactos NHC-electrodo.
Utilizó cálculos de la teoría funcional de la densidad (DFT) para apoyar las observaciones experimentales y analizar las características de transporte.

Principales resultados:

Se realizaron con éxito las primeras mediciones de transporte electrónico a través de moléculas individuales unidas a NHC.
Se demostró que la conductividad de una unión NHC depende del átomo metálico específico al que está coordinada.
Los cálculos de DFT confirmaron los hallazgos experimentales y aclararon el papel del enlace NHC en el transporte de carga.

Conclusiones:

Se estableció un método robusto para sondear la transferencia de electrones en las interfaces NHC-electrodo.
Los hallazgos abren vías para la utilización de NHC en la superficie en el desarrollo de nuevos electrodos funcionales y dispositivos nanoelectrónicos.
Las mediciones de conductividad de una sola molécula proporcionan información crítica sobre las propiedades electrónicas de los sistemas basados en NHC.

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