Synthesis and detailed spectroscopic characterization of various hydroxy-functionalized fluorescent chalcones: A combined experimental and theoretical study

Jagadeesh, M.; Lavanya, M.; Babu, B. Hari; Hong, Kiryong; Ma, Rory; Kim, Joonghan; Kim, Tae Kyu

doi:10.1016/j.saa.2015.05.085

Cited by 18 publications

(5 citation statements)

References 47 publications

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“…[21] N. Sharma also synthesized and antiplasmodial evaluated the vanillin derived allylated chalcones. [22] Four hydroxy-functionalized chalcones and their characterization using various spectroscopic techniques such as LC-MS, FT-IR, FT-Raman, fluorescence spectroscopy, thermogravimetric analysis, and UV-visible absorption spectroscopy were also reported by M. Jagadeesh et al [23] The authors suggested that the hydroxy-substituted chalcones exhibited strong dual emissions as a consequence of the locally excited states followed by internal charge transfer processes.…”

Section: Introductionmentioning

confidence: 84%

Synthesis and properties of some polyethers from chalcones

Linh

Dai

et al. 2018

Vietnam Journal of Chemistry

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The monomers chalcones derivatives were synthesized by the condensation reactions of the 4‐hydroxy benzaldehyde and vanillin with p‐hydroxyacetophenone. The monomers were polymerized with dibromoalkanes to give the co‐polyethers containing the photocrosslinkable α, β‐unsaturated carbonyl as photosensitizer group. The structure of polyether was characterized by 1H NMR and 13C NMR spectra. The thermal stability of the polymer was measured by thermogravimetric analysis. The solubility of the polymer in the organic solvents was also studied. The polymers have to be equipped with photosensitive functional groups applied in photopolymers technology.

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Section: Introductionmentioning

confidence: 84%

Synthesis and properties of some polyethers from chalcones

Linh

Dai

et al. 2018

Vietnam Journal of Chemistry

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“…The density functional theory (DFT), which has received a lot of attention, is useful for explaining the structural and electrical characteristics of particular subclasses of organic compounds [13] . Numerous DFT investigations on different organic compounds and chalcones have been conducted, and they have been associated with experimental results demonstrating exceptional performance in the dipole moment, anisotropic polarizability average polarizability and first hyperpolarizability [2b,14] . The present study investigates efficient chalcones‐based NLO materials, which may induce the interest of the scientific community by exploring their potential in utilization for optical device applications.…”

Section: Introductionmentioning

confidence: 99%

Substituted Benzalacetophenone Molecules: A Computational Investigation of Structural, PED & Non‐Linear Optical Properties

et al. 2023

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This protocol presents a complete theoretical study on the substituted benzalacetophenone molecules. In this study, eighteen chalcone derivatives 1-18 were evaluated with respect to their first-and second-order hyperpolarizability parameters. For this purpose, the molecular geometries of 1-18 were optimized using set 631 g (d,p) and hybrid functional B3LYP. Spectroscopic characterizations for 1-18 were executed through the calculations of IR, UV-Vis, 1 H NMR and 13 C NMR spectra. The quantum chemical parameters such as chemical potential, chemical hardness, electronegativity and electrophilicity indexes were obtained using the frontier molecular orbital (FMO) energies. The potential energy distribution (PED) analysis was used to provide a detailed assignment of vibrational bands. Important contributions to electronic absorption bands from FMOs were also evaluated. The distribution of FMOs to the whole molecule was investigated to determine the nature of electronic charge transfers in the target structures. The static and dynamic first-and second-order hyperpolarizability parameters for 1-18 were calculated by using CAM-B3LYP/6-31 + + G(d,p). The static β and γ were calculated at the ranges of 1.348-2.967 × 10 À 29 esu and 82.50-136.2 × 10 À 36 esu. This wide range of β and γ values indicates that chalcone derivatives with rational substitution may be promising candidates for first-and second-order NLO applications. The findings of this study contribute to the understanding of the relationships between molecular structure and non-linear optical properties, thus paving the way for the design of new materials with improved non-linear optical properties.

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“…In addition, there are studies in which the electrochemical and physical properties of chalcones containing organometallic functional groups are very remarkable [17] . Different studies have shown that such molecules can be used in organic light‐emitting diodes (OLEDs) [18] . The nonlinear optical properties of conjugated organic compounds are promising in areas such as photonics, optoelectronics, [19] integrated optics, [20] high‐speed optical communication and optical information storage, [21] as they are the primary focus of computational and experimental studies.…”

Section: Introductionmentioning

confidence: 99%

Nanographene‐Doped Chalcone Derivatives of Dioxybiphenyl‐Bridged Dispirocyclotriphosphazenes: Synthesis, Electrical Properties, and DFT Calculations

et al. 2023

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The cyclotriphosphazenes, which constitute an important class of inorganic compounds, can show new properties in the medical or technological fields depending on the properties of the substituted organic/inorganic groups. Herein, we aimed to determine electrical and theoretical properties of the nanographene-doped chalcone derivatives of dioxybiphenyl-bridged dispiro-cyclotriphosphazenes. For this aim, a new series of chalcone substituted spiro-cyclotriphosphazenes (3 a-g) have been synthesized by the reaction of dioxybiphenyl-bridged dispiro-cyclotriphosphazene (3) with chalcone derivatives (1 ag), respectively. Then, nanographene was doped to these spirocyclotriphosphazene 3 a-g using a hydrothermal system. The dielectric constant and loss factor of 4 % graphene-doped chalcone-substituted spiro-cyclotriphosphazene 3 g were determined as 167 and 2147 at 1 kHz, respectively, showing a significant increase compared to compound 3 g. The energy values of HOMO and LUMO orbitals are computed using DFT theory's level of B3LYP/6-31G(d,p). The FMO's energy gap values for 3 a-g were found to be 7. 92, 3.48, 3.26, 3.33, 3.53, 4.03 and 3.75 eV, respectively. Especially at frequencies below 10 kHz, the most striking result was observed for the nanographenedoped 3 d. While the AC conductivity of 3 d at 1 kHz was 3.87 × 10 À 9 S cm À 1 , the conductivity of the graphene-doped 3 d was calculated as 5.00 × 10 À 6 S cm À 1 . In addition, DC conductivity measurements were completed as a function of temperature and linearly increasing graphs were obtained with temperature. The activation energies calculated from the slopes of these graphs were 0.293, 0.305, 0.364 and 0.920 eV for 3 c, 3 d, 3 e and 3 g, respectively.

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Synthesis and detailed spectroscopic characterization of various hydroxy-functionalized fluorescent chalcones: A combined experimental and theoretical study

Cited by 18 publications

References 47 publications

Synthesis and properties of some polyethers from chalcones

Synthesis and properties of some polyethers from chalcones

Substituted Benzalacetophenone Molecules: A Computational Investigation of Structural, PED & Non‐Linear Optical Properties

Nanographene‐Doped Chalcone Derivatives of Dioxybiphenyl‐Bridged Dispirocyclotriphosphazenes: Synthesis, Electrical Properties, and DFT Calculations

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