title: Towards improved halogenated BODIPY photosensitizers: clues on structural designs and heavy atom substitution patterns.
abstract: The singlet oxygen (1O2) production quantum yield (ΦΔ) of 14 halogenated BODIPY dyes has been determined (0.01 < ΦΔ< 0.99).1O2production and photostability have been evaluated considering the BODIPY structure, the substitution pattern, and the number and type of heavy atoms and quenching rate constants of1O2by the sensitizer. In view of the experimental results and principal component analysis (PCA), guidelines for an improved design of efficient and photostable halo-BODIPY sensitizers are proposed.
authors.affiliation: Departamento de Química Orgánica I, Facultad de Ciencias Químicas, Universidad Complutense de Madrid, E-28040 Madrid, Spain. dgfresna@ucm.es.
authors.forename: Antonio J
authors.initials: AJ
authors.lastname: Sánchez-Arroyo
authors.affiliation: Departamento de Química Orgánica I, Facultad de Ciencias Químicas, Universidad Complutense de Madrid, E-28040 Madrid, Spain. dgfresna@ucm.es.
authors.forename: Eduardo
authors.initials: E
authors.lastname: Palao
authors.affiliation: Departamento de Química Orgánica I, Facultad de Ciencias Químicas, Universidad Complutense de Madrid, E-28040 Madrid, Spain. dgfresna@ucm.es.
authors.forename: Antonia R
authors.initials: AR
authors.lastname: Agarrabeitia
authors.affiliation: Departamento de Química Orgánica I, Facultad de Ciencias Químicas, Universidad Complutense de Madrid, E-28040 Madrid, Spain. dgfresna@ucm.es.
authors.forename: María J
authors.initials: MJ
authors.lastname: Ortiz
authors.affiliation: Departamento de Química Orgánica I, Facultad de Ciencias Químicas, Universidad Complutense de Madrid, E-28040 Madrid, Spain. dgfresna@ucm.es.
authors.forename: David
authors.identifier: http://orcid.org/0000-0001-7348-7583
authors.initials: D
authors.lastname: García-Fresnadillo