Calculations of BODIPY dyes in the ground and excited states using the M06-2X and PBE0 functionals

A number of fluorescent dyes based on BODIPY (4,4′-difluoro-4-bora-3a,4a-diaza-s-indacene) have been studied theoretically. This paper presents the results of calculations of these BODIPY dyes in their ground and excited states, performed using DFT and TD-DFT methods, respectively. The influences of...

Descripción completa

Detalles Bibliográficos
Autores principales: Laine, Marina, Barbosa, Nuno A., Wieczorek, Robert, Melnikov, Mikhail Ya., Filarowski, Aleksander
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer Berlin Heidelberg 2016
Materias:
Original Paper
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5054050/
https://www.ncbi.nlm.nih.gov/pubmed/27714534
http://dx.doi.org/10.1007/s00894-016-3108-8

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5054050/
https://www.ncbi.nlm.nih.gov/pubmed/27714534
http://dx.doi.org/10.1007/s00894-016-3108-8

Ejemplares similares