title: Photophysical Properties of Phenacylphenantridine Difluoroboranyls: Effect of Substituent and Double Benzannulation.
abstract: In this study we present a new series of phenantridine-based substituted difluoroboranyls. The effects of substitution and double benzannulation on their photophysical properties were examined with experimental techniques and compared with the results obtained for previously reported quinoline and isoquinoline derivatives. The experimental characterizations are supported by state-of-the-art quantum-chemical calculations. In particular, the theoretical calculations were performed to gain insights into the complex nature of the relevant excited-states. These calculations reveal that both the nature of the substituent and its position on the phenyl ring significantly impact the magnitude of the electronic charge transferred upon excitation. Additionally, vibrationally resolved spectra were determined allowing for the analysis of the key vibrations playing a role in the band shapes.
authors.affiliation: Department of Physical and Quantum Chemistry, Faculty of Chemistry, Wrocław University of Science and Technology , Wyb. Wyspiańskiego 27, PL-50370 Wrocław, Poland.
authors.forename: Anna Maria
authors.initials: AM
authors.lastname: Grabarz
authors.affiliation: Faculty of Chemical Technology and Engineering, UTP University of Science and Technology , Seminaryjna 3, PL-85326 Bydgoszcz, Poland.
authors.forename: Beata
authors.initials: B
authors.lastname: Jędrzejewska
authors.affiliation: Faculty of Chemical Technology and Engineering, UTP University of Science and Technology , Seminaryjna 3, PL-85326 Bydgoszcz, Poland.
authors.forename: Anna
authors.initials: A
authors.lastname: Zakrzewska
authors.affiliation: Department of Physical and Quantum Chemistry, Faculty of Chemistry, Wrocław University of Science and Technology , Wyb. Wyspiańskiego 27, PL-50370 Wrocław, Poland.
authors.forename: Robert
authors.initials: R
authors.lastname: Zaleśny
authors.affiliation: Laboratoire CEISAM, UMR CNRS 6230, Université de Nantes , 2 Rue de la Houssinière, BP92208, 44322 Cedex 3 Nantes, France.
authors.forename: Adèle D
authors.initials: AD
authors.lastname: Laurent
authors.affiliation: Laboratoire CEISAM, UMR CNRS 6230, Université de Nantes , 2 Rue de la Houssinière, BP92208, 44322 Cedex 3 Nantes, France.
authors.forename: Denis
authors.identifier: 0000-0002-4217-0708
authors.initials: D
authors.lastname: Jacquemin
authors.affiliation: Faculty of Chemical Technology and Engineering, UTP University of Science and Technology , Seminaryjna 3, PL-85326 Bydgoszcz, Poland.
authors.forename: Borys
authors.identifier: 0000-0001-9118-9264
authors.initials: B
authors.lastname: Ośmiałowski