On the synthesis, optical and computational studies of novel BODIPY-based phosphoramidate fluorescent dyes

Machado, Luana A.; Souza, Marcos C. de; Silva, Caroline M. da; Yoneda, Julliane Diniz; Rezende, Lucas Cunha Dias de; Emery, Flávio da Silva; Simone, C. A. De; Júnior, Eufrânio N. da Silva; Pedrosa, Leandro F.

doi:10.1016/j.jfluchem.2019.01.008

Cited by 6 publications

(8 citation statements)

References 48 publications

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“…After a mathematical correction of the data set, a simple linear equation was established in order to achieve a reasonable precision and accuracy. This simple correction procedure is a common method used throughout the literature and allows to estimate absorption 0-0 peak position with quick and low cost calculations [ 18 , 38 , 49 ]. The resulting sought equation is placed inside Figure 5 .…”

Section: Resultsmentioning

confidence: 99%

“…From all these previous investigations, the main conclusion is that the methodology that requires the least resources in material science and biomedical research is the application of an empirical correction: “ fudge ” [ 18 , 38 , 49 ]. Fudge methods generally consist in applying an empirical correction to calculated data to make them fit with experimental results.…”

Section: Introductionmentioning

confidence: 99%

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The TDDFT Excitation Energies of the BODIPYs; The DFT and TDDFT Challenge Continues

et al. 2021

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The derivatives of 4,4-difluoro-4-bora-3a,4a-diaza-s-indacene (BODIPY) are pivotal ingredients for a large number of functional, stimuli-responsive materials and therapeutic molecules based on their photophysical properties, and there is a urgent need to understand and predict their optical traits prior to investing a large amount of resources in preparing them. Density functional theory (DFT) and time-dependent DFT (TDDFT) computations were performed to calculate the excitation energies of the lowest-energy singlet excited state of a large series of common BODIPY derivatives employing various functional aiming at the best possible combination providing the least deviations from the experimental values. Using the common “fudge” correction, a series of combinations was investigated, and a methodology is proposed offering equal or better performances than what is reported in the literature.

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Section: Resultsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

The TDDFT Excitation Energies of the BODIPYs; The DFT and TDDFT Challenge Continues

et al. 2021

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“…BODIPY fluorophores are also particularly popular in bioimaging and sensing applications due to their near unitary fluorescence quantum yield [34][35][36]. However, like most organic dyes, their small Stokes shift (10-20 nm) limits the signal-to-noise ratio due to reabsorptions of emitted photons and cross-talk between the excitation source and the fluorescent emission.…”

Section: Introductionmentioning

confidence: 99%

New triazine bridged triads based on BODIPY-porphyrin systems: Extended absorption, efficient energy transfer and upconverted emission

Souza

Santos²,

Mariz³

et al. 2021

Dyes and Pigments

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“…However, the use of toxic BF 3 ·OEt 2 in open air may be disadvantageous for large-scale reactions. Recently, Pedroso’s group adopted the same method to synthesize a new meso -pentafluorophenyl-BODIPY dye using CHCl 3 for LAG …”

Section: Mechanochemical Synthesis Of Conventional Dyesmentioning

confidence: 99%

Mechanochemical Synthesis of Organic Dyes and Fluorophores

et al. 2021

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The syntheses of dyes and fluorophores have significant commercial importance. In recent years, mechanochemistry has emerged as a green and sustainable alternative for the synthesis of conventional dyes, new fluorophores, and also synthetic modification of known dyes for their use as chemosensors. The dyestuffs based on BODIPYs, rhodamine, fluorescein, perylenedimides, coumarins, benzothiazoles, etc. were synthesized or derivatized by grinding or milling. The synopsis aims to pay key attention to their synthesis and the applications as chemosensors will be briefly covered.

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On the synthesis, optical and computational studies of novel BODIPY-based phosphoramidate fluorescent dyes

Cited by 6 publications

References 48 publications

The TDDFT Excitation Energies of the BODIPYs; The DFT and TDDFT Challenge Continues

The TDDFT Excitation Energies of the BODIPYs; The DFT and TDDFT Challenge Continues

New triazine bridged triads based on BODIPY-porphyrin systems: Extended absorption, efficient energy transfer and upconverted emission

Mechanochemical Synthesis of Organic Dyes and Fluorophores

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