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排序方式: 共有337条查询结果,搜索用时 78 毫秒
41.
Zeinab Ahmadvand Mehdi Bayat Mohammad Ali Zolfigol 《Journal of computational chemistry》2020,41(26):C1-C1
Pd-PEPPSI type complexes are widely used as precatalyst in a variety of organic reactions, including the Negishi, Kumada and Suzuki-Miyaura cross-coupling reactions. The aim of this research is to determine potential proposed reaction pathways 1, 2, or 2′ (See Schemes 1 and S1–S4 ) for Pd-PEPPSI precatalyst activation in the presence of ethylene glycol as a solvent also in the gas phase at Cam-B3LYP-D3 method nominated among eight DFT methods examined. There is also investigation into the impact of promoter bases (NaOEt, NaOiPr, NaOtBu) on precatalyst activation of Pd-PEPPSI. Eventually, the most favorable proposed reaction pathway and promoter base for reducing Pd(II) to Pd(0) are predicted computationally. Notably, our findings are consistent with the organ Pd-PEPPSI type complexes that offer increased catalytic activity and provide basic information in the presence of solvents designing the monoligated Pd(0)-solvent. 相似文献
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Research on Chemical Intermediates - Isatin and related derivatives are synthetically versatile substrates. These compounds can form a wide range of heterocyclic structures. These characteristics... 相似文献
43.
Seyyed Javad Sabounchei Khadijeh Badpa Mehdi Bayat Roya Karamian Fatemeh Ghasemlou Robert W. Gable Parviz Gohari Derakhshandeh Kristof Van Hecke 《应用有机金属化学》2019,33(3)
The reaction of α‐keto‐stabilized diphosphine ylides [Ph2P(CH2)nPPh2═C(H)C(O)C6H4‐p‐CN] (n = 1 (Y1); n = 2 (Y2)) with dibromo(1,5‐cyclooctadiene) palladium(II)/platinum(II) complexes, [Pd/PtBr2(cod)], in equimolar ratio gave the new cyclometalated Pd(II) and Pt(II) complexes [Br2Pd(κ2‐Y1)] ( 1 ), [Br2Pt(κ2‐Y1)] ( 2 ), [Br2Pd(κ2‐Y2)] ( 3 ) and [Br2Pt(κ2‐Y2)] ( 4 ). These compounds were screened in a search for novel antibacterial agents and characterized successfully using Fourier transfer infrared and NMR (1H, 13C and 31P) spectroscopic methods. Also, the structures of complexes 1 and 2 were characterized using X‐ray crystallography. The results showed that the P,C‐chelated complexes 1 and 2 have structures consisting of five‐membered rings, while 3 and 4 have six‐membered rings, formed by coordination of the ligand through the phosphine group and the ylidic carbon atom to the metal centre. Also, a theoretical study of the structures of complexes 1 – 4 was conducted at the BP86/def2‐SVP level of theory. The nature of metal–ligand bonds in the complexes was investigated using energy decomposition analyses (EDA) and extended transition state combined with natural orbitals for chemical valence analyses. The results of EDA confirmed that the main portions of ΔEint, about 57–58%, in the complexes are allocated to ΔEelstat. 相似文献
44.
Mohammad Mahdi Zangeneh Shabnam Bovandi Sepideh Gharehyakheh Akram Zangeneh Parisa Irani 《应用有机金属化学》2019,33(7)
Allium saralicum R.M. Fritsch has been used in Iranian traditional medicine as a remedial supplement for microbial diseases. This paper reports the green synthesis, chemical characterization and antioxidant, cytotoxic, antibacterial and antifungal properties of silver nanoparticles obtained using aqueous extract of A. saralicum leaves. In this synthesis, no surfactants or stabilizers were used. For characterization, UV–visible spectroscopy, transmission electron microscopy, X‐ray diffraction, energy‐dispersive X‐ray spectroscopy and field emission scanning electron microscopy were used. 2,2‐Diphenyl‐1‐picrylhydrazyl was used in experiments to assess the antioxidant potential of the silver nanoparticles, which revealed an impressive prevention in comparison with butylated hydroxytoluene. The synthesized silver nanoparticles at low doses (1–250 μg dl?1) did not show marked cytotoxic activity (against cervical cancer cells (Hela), breast cancer cells (MCF‐7) and human embryonic kidney cells (HEK‐293)). Agar diffusion tests were applied to determine the antibacterial and antifungal characteristics. Compared with all standard antimicrobials, the silver nanoparticles showed higher antibacterial and antifungal activities (p ≤ 0.01). Also, the silver nanoparticles inhibited the growth of all bacteria and fungi at concentrations of 31–250 μg ml?1, and destroyed them at concentrations of 31–500 μg ml?1 (p ≤ 0.01). Because the silver nanoparticles obtained using aqueous extract of A. saralicum leaves have antioxidant, non‐cytotoxic, antifungal and antibacterial potentials, they can be used as a medical supplement or drug. 相似文献
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In this study, magnetic nitrogen‐doped carbon (MNC) was fabricated through facile carbonization and activation of natural silk cocoons containing nitrogen and then combined with Fe3O4 nanoparticles to create a good support material for palladium. Palladium immobilization on the support resulted in the formation of magnetic nitrogen‐doped carbon‐Pd (MNC‐Pd). The prepared heterogeneous catalyst was well characterized using FT‐IR, TGA, EDX, FE‐SEM, XRD, VSM, and ICP‐OES techniques. Thereafter, the synthesis of biaryl compounds was conducted to investigate the catalyst performance via the reaction of aryl halides and phenylboronic acid. Further, the catalyst could be used and recycled for six consecutive runs without any significant loss in its activity. 相似文献
49.
A new class of 2-arylamino-dihydroxyindenopyrroles were prepared by the one-pot multicomponent reaction of ninhydrin, N-methyl-1-(methylthio)-2-nitroethenamine and aromatic amines in EtOH at room temperature. The advantages of this procedure are short reaction times, good to high yields, easy separation of products and good functional group tolerance. 相似文献
50.
Parisa Pazhooh Roushan Khoshnavazi Leila Bahrami Elham Naseri 《Journal of the Iranian Chemical Society》2018,15(8):1775-1783
New nanocomposites containing sandwich-type polyoxometalate of [(PW9O34)2(HOSnIVOH)3]12? (P2W18Sn3) loaded onto Ln-doped TiO2 (Nd, Sm, Dy, Tb) nanoparticles were synthesized and their catalytic activities were assessed. The Ln–TiO2 nanoparticles and Ln–TiO2/P2W18Sn3 nanocomposites were characterized by Fourier transform infrared spectroscopy (FT-IR), X-ray diffraction, field emission scanning electron microscope, energy dispersive analysis of X-rays spectra and diffuse reflectance spectra. The photocatalytic efficiency of the Ln–TiO2 and Ln–TiO2/P2W18Sn3 were examined in the photodegradation of methyl orange and methylene blue solutions. It was revealed through different characterization techniques that the P2W18Sn3 was successfully loaded on the lanthanide-doped anatase phase TiO2 nanoparticles and the particles diameter were relatively 20–30 nanometers. It was revealed that doping by the lanthanide ions followed by loading of polyoxometalates improves the photocatalytic performance of TiO2 effectively. The effects of operational parameters and the kinetics of photocatalytic degradation under UV light were discussed. The prepared nanocomposites were stable and could be easily separated from the reaction system. 相似文献