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1.
Org Biomol Chem ; 22(15): 2978-2984, 2024 Apr 17.
Artigo em Inglês | MEDLINE | ID: mdl-38415501

RESUMO

Thienothiophene (TT) has received great attention in the fields of electronics and optoelectronics. Here we report a synthesis and characterization of fullerene-donor-fullerene triads linked to thieno[2,3-b]thiophene as a donor. The photophysical and electrochemical properties of the new dumbbells were investigated using UV-vis spectroscopy, fluorescence spectroscopy, cyclic voltammetry, and square wave voltammetry. The results showed that both compounds have higher LUMO energy levels than PC61BM, indicating that they can be used in photovoltaic applications. Furthermore, the powder was structurally and morphologically characterized via X-ray diffraction (XRD) and scanning electron microscopy (SEM). The SEM revealed the morphological characterization of the two derivatives as globular and urchin-like supramolecular assemblies.

2.
Molecules ; 24(24)2019 Dec 04.
Artigo em Inglês | MEDLINE | ID: mdl-31817136

RESUMO

Efficient one-pot synthesis of new series of furylpyrazolino[60]fullerene derivatives was prepared by [3 + 2] cycloaddition reaction mediated with (diacetoxyiodo)benzene (PhI(OAc)2) as an oxidant in o-dichlorobenzene (ODCB) under microwave irradiation. Different techniques have been used to confirm the structural identity including FT-IR, fast atom bombardment (FAB)-mass, NMR, and single-crystal X-ray diffraction, in addition to investigating the photophysical properties and the electrochemical properties for the new compounds using UV-Vis spectra, fluorescence spectra, cyclic voltammetry, and square wave voltammetry. Three of these pyrazolino[60]fullerene compounds showed better electron affinity than the parent C60 in the ground state.


Assuntos
Eletroquímica/métodos , Fulerenos/química , Furanos/síntese química , Micro-Ondas , Pirazóis/síntese química , Cristalografia por Raios X , Furanos/química , Conformação Molecular , Oxirredução , Pirazóis/química , Espectrometria de Fluorescência , Espectrofotometria Ultravioleta , Temperatura
3.
RSC Adv ; 14(15): 10464-10480, 2024 Mar 26.
Artigo em Inglês | MEDLINE | ID: mdl-38567329

RESUMO

In this study, we synthesized (2-propoxyphenyl)(3-(p-tolyl)oxiran-2-yl)methanone through oxidizing the double bond of the respective chalcone via the Weitz-Scheffer epoxidation reaction. Additionally, the chalcone with an oxirane ring served as a fundamental building block for the synthesis of various pyrazole and imidazole derivatives, employing diverse nitrogen nucleophiles. All synthesized compounds were confirmed via analytical and spectroscopic analysis, such as FT-IR, 1H NMR, 13C NMR, and mass spectroscopy. Furthermore, all these nitrogen heterocycles were optimized via the DFT/B3LYP/6-31G(d,p) basis set and their physical descriptors were identified. Compound 11 was further confirmed using single-crystal X-ray diffraction with Hirshfeld analysis, and the results were correlated with the optimized structure by comparing their bond length and bond angle, which provided excellent correlation. Additionally, the insecticidal activities of the newly synthesized compounds were tested against P. interpunctella and Nilaparvata lugens. The heterocyclic compounds exhibited remarkable activity compared to the standard reference thiamethoxam. These findings were further confirmed through docking simulation with different proteins, namely PDBID 3aqy and 3wyw. The compounds interacted effectively within the protein pockets, displaying a higher binding energy with amino acids.

4.
ACS Omega ; 8(14): 12886-12898, 2023 Apr 11.
Artigo em Inglês | MEDLINE | ID: mdl-37065042

RESUMO

Losses from corrosion contribute roughly 3-5% of the gross domestic product of developed nations, and among the many methods used to avoid corrosion, using silane-based coatings is seen to be of the biggest importance due to their low toxicity and superior adhesive qualities. It is essential to develop an anti-corrosion coating that is efficient, economical, and eco-friendly. The corrosion resistance and durability of various silane-based coatings such as 1,2-bis(triethoxysilyl)ethane (BTSE), bis[3-(triethoxysilyl)propyl]tetrasulfide (TESPT), and vinyltrimethylsilane (VTES) for carbon steel 1018 substrates were investigated in a high-salinity environment (4.5 wt % NaCl). The corrosion resistance performance was evaluated via potentiodynamic polarization (PDP) and electrochemical impedance spectroscopy (EIS) techniques. Results revealed that the TESPT film (pH ≈ 7) has the best corrosion resistance performance on the carbon steel surface in the aggressive chloride environment, that is, 99.6%. The high corrosion resistance of the TESPT film is due to the hydrophobic nature of this silane, which leads to the formation of a stable and dense film. These results were supported by X-ray photoelectron spectroscopy (XPS), scanning electron microscopy (SEM), and energy-dispersive X-ray spectroscopy (EDX) analyses.

5.
Materials (Basel) ; 16(8)2023 Apr 13.
Artigo em Inglês | MEDLINE | ID: mdl-37109909

RESUMO

ß-Ni(OH)2 and ß-Ni(OH)2/graphene oxide (GO) were prepared on an Ni foil electrode using the electrochemical cyclic voltammetry formed in 0.5 M KOH solution. Several surface analyses such as XPS, XRD, and Raman spectroscopies were used to confirm the chemical structure of the prepared materials. The morphologies were determined using SEM and AFM. The addition of the graphene oxide layer showed a remarkable increase in the specific capacitance of the hybrid. Through the measurements, the specific capacitance values were 280 F g-1 and 110 F g-1 after and before adding 4 layers of GO, respectively. The supercapacitor displays high stability until 500 cycles are charged and discharged almost without a loss in its capacitance values.

6.
ACS Omega ; 6(31): 20321-20330, 2021 Aug 10.
Artigo em Inglês | MEDLINE | ID: mdl-34395980

RESUMO

The design of covalently linked [60]fullerene dimers has gained increased attention, as the linked electron donors or acceptors are in close proximity to the surface of the C60, providing a valuable approach to novel molecular electronic devices. Herein, new compounds involving C60 dumbbells covalently connected by the π-conjugated system from azobenzene and diaryl ether linkers were synthesized following the bifunctional cycloaddition reactions to C60 using microwave radiation. The structural identity of the fullerene dimers has been determined using spectroscopic techniques including Fourier transform infrared (FT-IR), matrix-assisted laser desorption ionization time-of-flight (MALDI-TOF), and NMR spectroscopy, and the photophysical and the electrochemical properties for the new dumbbells have been examined using UV-vis spectroscopy, fluorescence spectroscopy, cyclic voltammetry, and square wave voltammetry. Both new dimers show electronic interaction with the fullerene cage and higher electron affinity than the pristine C60.

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