The solvatochromism of phenolate betaines: comparing different cavities of a polarized continuum model

Two variations of the polarized continuum model employing default ("PCM model") and SMD radii ("SMD model") were compared for the reproduction of the solvatochromic behavior of Reichardt's betaine dye, and of eight other phenolate betaines that exhibit a

Detalles Bibliográficos
Autores: Caroli-Rezende, Marcos, Dominguez, Moises
Tipo de recurso: artículo
Estado:Versión publicada
Fecha de publicación:2014
País:Chile
Idioma:inglés
OAI Identifier:oai:repositorio.anid.cl:10533/228857
Acceso en línea:https://hdl.handle.net/10533/228857
Access Level:acceso abierto
Descripción
Sumario:Two variations of the polarized continuum model employing default ("PCM model") and SMD radii ("SMD model") were compared for the reproduction of the solvatochromic behavior of Reichardt's betaine dye, and of eight other phenolate betaines that exhibit a