Synthesis, photophysical, voltammetric, and DFT studies of 4-aminochalones

Baig, Humera; Irfan, Rimsha; Rasool, Alvina; Hussain, Syed Zajif; Siddique, Sabir Ali; Iqbal, Javed; Alazmi, Meshari; Nawaf, Alshammari; Alazmi, Amira; AlGhadhban, Amer; Sulieman, Abdel Moneim E.; Said, Kamaleldin B.; Habib-ur-Rehman, _; Saleem, Rahman Shah Zaib

doi:10.1016/j.jphotochem.2023.114790

Cited by 5 publications

(2 citation statements)

References 51 publications

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“…. [25][26][27][28][29] It has recently been found that some 2'-hydroxy chalcones, which do not fluoresce in solutions, can emit in the crystalline state. It was explained by twisting the benzene ring of the BA fragment in the excited state which leads to effective nonradiative deactivation due to conical intersection.…”

Section: Chalconesmentioning

confidence: 99%

Complexation of Flavonoids: Spectral Phenomena, Regioselectivity, Interplay with Charge and Proton Transfer

Roshal

2023

The Chemical Record

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The review compiles information on the spectral classification of flavonoids, the changes in their electronic structure upon complex formation, and the manifestation of these changes in the absorption and emission spectra. Part of the review is devoted to the regioselectivity of the complex formation process, including types of complexation sites, the structure of chelates and ′open′ complexes, and the correlation between the structure of complexes and their spectral properties. The interplay between complex formation and other processes occurring in flavonoids during electronic excitation is also considered, such as intramolecular inter‐fragment charge transfer (ICT) and intramolecular proton transfer (ESIPT). The review also contains systematic data on the study of regioselectivity and spectral properties of flavone complexes, obtained by the author and their colleagues over the past decades.

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Section: Chalconesmentioning

confidence: 99%

Complexation of Flavonoids: Spectral Phenomena, Regioselectivity, Interplay with Charge and Proton Transfer

Roshal

2023

The Chemical Record

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“…With an interest to explore the photophysical characteristics of organic scaffolds, , in the current work, we present the synthesis of novel chalcones carrying an electron-donating piperidyl or pyrrolidinyl ring on ring B and no substituent on ring A (making it a D–A–D architecture) or an ester on ring A (making it a D–A–D–A architecture). Then, we present experimental and theoretical studies of these chalcones including UV–vis absorbance, photoluminescence (PL), analysis of highest occupied molecular orbital (HOMO)/lowest unoccupied molecular orbital (LUMO) energy level, density of state (DOS) analysis, molecular electrostatic potential (MEP) surface analysis, transition density matrix (TDM), exciton binding energy (E b ), and reorganization energy (RE).…”

Section: Introductionmentioning

confidence: 99%

Synthesis and Photophysical, Electrochemical, and DFT Studies of Piperidyl and Pyrrolidinyl Chalcones

et al. 2023

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Small organic molecules with interesting optical and electrochemical properties find applications as organic luminescent materials. In this work, we report the synthesis of novel chalcones with D−A−D and D−A−D−A architecture, followed by their optical, electrochemical, and computational studies. The absorption band of these compounds occurs at 360−480 nm with emission maxima appearing around 513−552 nm. The large Stokes shifts (Δλ) for all compounds (90−132 nm) suggest intramolecular charge transfer (ICT) in the excited states. The molar absorptivity and fluorescence quantum yields were found to be in the range of 1.7−4.26 × 10 4 M −1 cm −1 and 0.29−0.39, respectively. The electrochemical parameters were determined by using cyclic voltammetry (CV). Density functional theory (DFT) calculations of all compounds were made by using B3LYP/G (d,p) functionals in chloroform and were found to have a good correlation with experimental results. Preliminary studies of absorption, photoluminescence, CV, and their theoretical correlation suggest that these compounds may be optimized for their applications in optoelectronics, sensing, and bioimaging.

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Synthesis and structural elucidation of novel Bis-chalcone dyes: solvent/media effects, DNA binding, and molecular docking with their anticancer efficacy

El-Nahass,

Hussein,

Fayed

et al. 2024

Chem. Pap.

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Synthesis, photophysical, voltammetric, and DFT studies of 4-aminochalones

Cited by 5 publications

References 51 publications

Complexation of Flavonoids: Spectral Phenomena, Regioselectivity, Interplay with Charge and Proton Transfer

Complexation of Flavonoids: Spectral Phenomena, Regioselectivity, Interplay with Charge and Proton Transfer

Synthesis and Photophysical, Electrochemical, and DFT Studies of Piperidyl and Pyrrolidinyl Chalcones

Synthesis and structural elucidation of novel Bis-chalcone dyes: solvent/media effects, DNA binding, and molecular docking with their anticancer efficacy

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