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This research aims to investigate the properties of exciplexes formed by monomethoxylated boron difluoride dye and their interaction with silica surfaces.

August 4, 2026High Energy Chemistry

Quantum Chemical Study of the Monomethoxylated Derivative of the Boron Difluoride Dibenzoylmethanate Dye and Its Exciplexes with Benzene and Toluene on a Silica Surface

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Authors

ASA.A. SamolygaMoscow Institute of Physics and Technology ERE. A. RykovaMoscow Institute of Physics and Technology ASA. A. SafonovKurchatov Institute

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Quantum chemical study evaluates exciplex formation and dye adsorption on silica with implications for sensor design.

Key Points

This research aims to investigate the properties of exciplexes formed by monomethoxylated boron difluoride dye and their interaction with silica surfaces.
TDDFT calculations were used to analyze exciplexes in the gas phase and on silica.
Fluorescence wavelengths and energy shifts were evaluated upon exciplex adsorption.
Mulliken charges and electron density transfers were calculated.
The introduction of a methoxyl group decreases dye adsorption energy on silica.
Formation energies of exciplexes with benzene and toluene were lowered.
A reduction in bathofluorometric shifts in exciplex fluorescence spectra was observed.

Cite This Study

Samolyga et al. (2026) studied this question.

synapsesocial.com/papers/6a7198eec47350ef8e494572 https://doi.org/10.1134/s001814392660014x

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Quantum Chemical Study of the Monomethoxylated Derivative of the Boron Difluoride Dibenzoylmethanate Dye and Its Exciplexes with Benzene and Toluene on a Silica Surface

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Cite This Study

Quantum Chemical Study of the Monomethoxylated Derivative of the Boron Difluoride Dibenzoylmethanate Dye and Its Exciplexes with Benzene and Toluene on a Silica Surface

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