Unveiling Borane Complexes With N, O Chelation: Synthesis, Reactivity, and Theoretical Studies

Yadav, Rahul Kumar and Parveen, Darakshan and Sahu, Ritesh Kumar and Mondal, Bijan and Roy, Dipak Kumar (2025) Unveiling Borane Complexes With N, O Chelation: Synthesis, Reactivity, and Theoretical Studies. CHEMISTRYSELECT, 10 (47): e07199. ISSN 2365-6549,

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Abstract

We synthesized a series of 2-aminotropone (N, O)-based borane complexes (2a-2c) in a five-membered scaffold that exhibits strong fluorescence in solution. The photoluminescence lifetimes of these complexes, measured in dichloromethane, range from 3.40 to 3.91 ns. Correspondingly, fluorescence quantum yields of boranes (2a-2c) range from 10% to 15%, indicating the quantum yields and fluorescence decay times have minimal impact of the substituents present on the nitrogen atom. Treatment of these borane complexes with trimethylsilyl trifluoromethanesulfonate (TMS-OTf) results in the formation of mixtures of borenium (three coordinated) and boronium (four coordinated) cations in solution. In contrast, reacting 2-aminotropones with BBr3 at room temperature selectively afforded boronium cations (4a-4c). All these neutral and cationic complexes were fully characterized using multinuclear NMR spectroscopy and single-crystal x-ray diffraction analysis. Furthermore, Density Functional Theory (DFT) studies were performed to analyze the electronic properties of both neutral and cationic boron species.

Item Type: Article
Uncontrolled Keywords: AGGREGATION-INDUCED EMISSION; CONSISTENT PERTURBATION-THEORY; BF2 COMPLEXES; PHOTOPHYSICAL PROPERTIES; PHOTODYNAMIC THERAPY; LONG-WAVELENGTH; BORON COMPLEXES; FLUORESCENCE; FLUOROPHORES; LIGANDS; aminotropone; borenium; boronium; DFT; fluorescence
Subjects: 500 Science > 540 Chemistry & allied sciences
Divisions: Chemistry and Pharmacy > Institut für Anorganische Chemie
Depositing User: Dr. Gernot Deinzer
Date Deposited: 07 May 2026 04:55
Last Modified: 07 May 2026 04:55
URI: https://pred.uni-regensburg.de/id/eprint/66625

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