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Mn3+ en coordinación bipiramidal trigonal: un nuevo cromóforo azul
Andrew E Smith1, Hiroshi Mizoguchi, Kris Delaney
1Department of Chemistry, Oregon State University, Corvallis, Oregon 97330-4003, USA.
Journal of the American Chemical Society
|November 11, 2009
Resumen
El manganeso trivalente (Mn3+) crea un color azul vivo en los óxidos. Esto ocurre debido a las transiciones electrónicas específicas en su coordinación trigonal bipiramidal, causando la absorción de luz.
Área de la Ciencia:
- Ciencia de los materiales Ciencia de los materiales.
- Química del estado sólido.
- Física del estado sólido Física del estado sólido
Sus antecedentes:
- El color de los óxidos a menudo está determinado por la estructura electrónica de los iones metálicos de transición.
- Comprender el origen del color en los óxidos puede conducir a nuevos diseños de materiales.
Objetivo del estudio:
- Para investigar el origen del color azul intenso impartido por el manganeso trivalente (Mn3+) en óxidos.
- Para aclarar las propiedades electrónicas y ópticas responsables de este fenómeno.
Principales métodos:
- Se realizaron mediciones ópticas para analizar los espectros de absorción.
- Los cálculos de la teoría funcional de densidad (DFT) de los primeros principios se utilizaron para modelar la estructura electrónica.
Principales resultados:
- El manganeso trivalente (Mn3+) en la coordinación bipiramidal trigonal causa una coloración azul intensa en los óxidos.
- El color azul surge de una fuerte absorción en la región rojo/verde del espectro.
- Esta absorción se atribuye a una transición óptica permitida por simetría que involucra estados de Mn 3d hibridados con estados de O 2p.
Conclusiones:
- El color azul observado es una característica general del Mn3+ diluido en este entorno de coordinación específico.
- Los hallazgos proporcionan una comprensión fundamental de los centros de color en los óxidos y el potencial para ajustar las propiedades ópticas.
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