Asymmetrization of the Indacene Core in the Molecules of Monobromine-Containing BODIPY Derivatives: Experiment and Theory
https://doi.org/10.26907/2542-064X.2024.3.373-386
Abstract
The molecular structures and crystal packings of three new BODIPY compounds with a bromine atom in the α-, β-, and γ-position were analyzed. The asymmetrization of the central conjugated fragment was demonstrated for the first time, with its expression and localization determined by the position of the substituent relative to the borofluoride core of the molecule.
Supporting agencies: Physicochemical studies were performed at the Multiple-Access SpectroAnalytical Center for Physical-Chemical Study of Structure, Properties and Composition of Substances and Materials (FRC Kazan Scientific Center, Russian Academy of Sciences) and funded through the state assignment to the FRC Kazan Scientific Center, Russian Academy of Sciences. Quantum chemical calculations were supported by the Kazan Federal University Strategic Academic Leadership Program (PRIORITY-2030).
About the Authors
L. V. Frantsuzova
Arbuzov Institute of Organic and Physical Chemistry, FRC Kazan Scientific Center, Russian Academy of Sciences
Russian Federation
Competing Interests:
Russian Federation
Kazan, 420088.
Competing Interests:
The authors declare no conflicts of interest.
D. P. Gerasimova
Arbuzov Institute of Organic and Physical Chemistry, FRC Kazan Scientific Center, Russian Academy of Sciences
Russian Federation
Competing Interests:
Russian Federation
Kazan, 420088.
Competing Interests:
The authors declare no conflicts of interest.
O. A. Lodochnikova
Arbuzov Institute of Organic and Physical Chemistry, FRC Kazan Scientific Center, Russian Academy of Sciences; Kazan Federal University
Russian Federation
Competing Interests:
Russian Federation
Kazan, 420088.
Kazan, 420008.
Competing Interests:
The authors declare no conflicts of interest.
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For citations:
Frantsuzova L.V., Gerasimova D.P., Lodochnikova O.A. Asymmetrization of the Indacene Core in the Molecules of Monobromine-Containing BODIPY Derivatives: Experiment and Theory. Uchenye Zapiski Kazanskogo Universiteta Seriya Estestvennye Nauki. 2024;166(3):373-386. (In Russ.) https://doi.org/10.26907/2542-064X.2024.3.373-386
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