A conical intersection model to explain aggregation induced emission in diphenyl dibenzofulvene

A conical intersection seam is behind the restriction of intramolecular rotation mechanism for aggregation induced emission in diphenyl dibenzofulvene (DPDBF). In solution, the seam is accessed through rotation around the exocyclic fulvene bond, leading to radiationless decay to the ground state. In...

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Detalles Bibliográficos
Autores: Li, Quansong, Blancafort San José, Lluís
Tipo de recurso: artículo
Estado:Versión publicada
Fecha de publicación:2013
País:España
Institución:Varias* (Consorci de Biblioteques Universitáries de Catalunya, Centre de Serveis Científics i Acadèmics de Catalunya)
Repositorio:Recercat. Dipósit de la Recerca de Catalunya
OAI Identifier:oai:recercat.cat:10256/11477
Acceso en línea:http://hdl.handle.net/10256/11477
Access Level:acceso embargado
Palabra clave:Rotació molecular
Molecular rotation
Dinàmica molecular
Molecular dynamics
Hidrocarburs -- Rotació molecular
Hydrocarbons -- Molecular rotation
Descripción
Sumario:A conical intersection seam is behind the restriction of intramolecular rotation mechanism for aggregation induced emission in diphenyl dibenzofulvene (DPDBF). In solution, the seam is accessed through rotation around the exocyclic fulvene bond, leading to radiationless decay to the ground state. In the solid, the seam cannot be accessed because the torsion is blocked, and DPDBF becomes emissive