title: A theoretical and experimental NMR study of BODIPY 493/503: difluoro{2-[1-(3,5-dimethyl-2H-pyrrol-2-ylidene-N)ethyl]-3,5-dimethyl-1H-pyrrolato-N}boron.
authors.affiliation: Centro de Química Orgánica 'Lora-Tamayo', CSIC, Juan de la Cierva, 3, E-28006, Madrid, Spain.
authors.forename: María Luisa
authors.initials: ML
authors.lastname: Jimeno
authors.affiliation: Centro de Química Orgánica 'Lora-Tamayo', CSIC, Juan de la Cierva, 3, E-28006, Madrid, Spain.
authors.forename: María Teresa
authors.initials: MT
authors.lastname: Benito
authors.affiliation: Centro de Química Orgánica 'Lora-Tamayo', CSIC, Juan de la Cierva, 3, E-28006, Madrid, Spain.
authors.forename: Elisa García
authors.initials: EG
authors.lastname: Doyagüez
authors.affiliation: Departamento de Química Orgánica y Bio-Orgánica, Facultad de Ciencias, UNED, Paseo Senda del Rey, 9, E-28040, Madrid, Spain.
authors.forename: Rosa M
authors.initials: RM
authors.lastname: Claramunt
authors.affiliation: Departamento de Química Orgánica y Bio-Orgánica, Facultad de Ciencias, UNED, Paseo Senda del Rey, 9, E-28040, Madrid, Spain.
authors.forename: Dionisia
authors.initials: D
authors.lastname: Sanz
authors.affiliation: Instituto de Química Médica, CSIC, Juan de la Cierva, 3, E-28006, Madrid, Spain.
authors.forename: Marta
authors.initials: M
authors.lastname: Marín-Luna
authors.affiliation: Instituto de Química Médica, CSIC, Juan de la Cierva, 3, E-28006, Madrid, Spain.
authors.forename: Ibon
authors.initials: I
authors.lastname: Alkorta
authors.affiliation: Instituto de Química Médica, CSIC, Juan de la Cierva, 3, E-28006, Madrid, Spain.
authors.forename: José
authors.initials: J
authors.lastname: Elguero
keywords: B3LYP; BODIPY; CASTEP; CPMAS