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Observación directa del intermediario HOON en la fotoquímica del HONO
Xiaolong Li1, Wenbin Fan1, Lina Wang1
1Department of Chemistry, Shanghai Key Laboratory of Molecular Catalysis and Innovative Materials, Fudan University, Shanghai 200433, China.
Journal of the American Chemical Society
|July 13, 2024
Resumen
Los científicos observaron directamente el nitrosil-O-hidróxido (HOON) durante la fotoquímica del ácido nítrico (HONO). Este intermedio se reorganiza en HONO a través de túneles cuánticos, incluso a bajas temperaturas.
Área de la Ciencia:
- Química de la atmósfera
- La fotoquímica
- Mecánica Cuántica
Sus antecedentes:
- La fotoquímica del ácido nitroso (HONO) es crucial para los procesos atmosféricos.
- Comprender las reacciones de disociación y asociación de HONO es vital.
Objetivo del estudio:
- Para observar directamente el nitrosil-O-hidróxido (HOON) en la fotoquímica HONO.
- Para investigar el mecanismo de reorganización de HOON a HONO.
Principales métodos:
- Se empleó la espectroscopia infrarroja (IR) y UV-vis de aislamiento de matriz.
- Se realizaron cálculos sobre los efectos cinéticos de los isótopos y la teoría de la instancia.
Principales resultados:
- Se logró la observación directa del isómero HOON.
- HOON se reorganiza espontáneamente a HONO a través del túnel cuántico con una vida media de 28 min a 4 K.
- El túnel implica el movimiento concertado de la fracción de NO (65,2%) y el átomo de hidrógeno (32,3%).
Conclusiones:
- HOON es un intermediario significativo en el ciclo de disociación-asociación fotolítica HONO a bajas temperaturas.
- El túnel mecánico cuántico es un factor clave en la transformación de HOON a HONO.
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