Molecular Conformational Effect on Optical Properties and Fluoride Induced Color Changes in Triarylborane-Vinylbithiophene-BODIPY Conjugates

Sarkar, SK and Rao, SE and Thilagar, P (2020) Molecular Conformational Effect on Optical Properties and Fluoride Induced Color Changes in Triarylborane-Vinylbithiophene-BODIPY Conjugates. In: Journal of Physical Chemistry B, 124 (40). pp. 8896-8903.

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Abstract

Three new triads bis(mesityl)boryl (Mes2B)-vinylbithiophene-BODIPY bearing zero (1), two (2), and four (3) methyl groups on the BODIPY core are synthesized, and their optical properties are reported. The vinyl linker between the thiophene rings in the spacer moiety improved the electronic communication between the boryl and BODIPY units. It displayed a bathochromic shift in the absorption and emission spectra compared to the Mes2B-bithiophene-BODIPY triad reported elsewhere. These compounds exhibit intriguing multiple-emission features due to an incomplete energy transfer from donor borane to the acceptor BODIPY unit. These compounds' photoluminescence color can be conveniently fine-tuned by fluoride binding at the coordinatively unsaturated tricoordinate boron center. Triad 3, with a rigid molecular structure, showed a sharp emission band, whereas triads 1 and 2, with flexible molecular structures, displayed broad emission bands with a robust bathochromic shift, ascribed to their excited state structural reorganizations. These triads selectively bind fluoride ions and show colorimetric responses, which can be seen with an unaided eye. DFT computational studies were performed to rationalize the optical signatures of these compounds. © 2020 American Chemical Society.

Item Type:	Journal Article
Publication:	Journal of Physical Chemistry B
Publisher:	American Chemical Society
Additional Information:	The copyright for this article belongs to American Chemical Society.
Keywords:	Color; Emission spectroscopy; Energy transfer; Excited states; Fluorine compounds; Molecular structure; Unsaturated compounds, Absorption and emission spectra; Broad emission bands; Co-ordinatively unsaturated; Computational studies; Conformational effect; Electronic communications; Rigid molecular structure; Structural reorganization, Colorimetry
Department/Centre:	Division of Chemical Sciences > Inorganic & Physical Chemistry
Date Deposited:	11 Feb 2023 05:51
Last Modified:	11 Feb 2023 05:51
URI:	https://eprints.iisc.ac.in/id/eprint/80193

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