Nitron-derivative-based palladium carbene complexes: structural characterization, theoretical calculations, and catalytic applications in the Mizoroki–Heck coupling reaction

Lee, Ming-Yi; Liao, Chih-Hsiang; Hung, Hsiu-Yu; Lee, Jhen-Yi; Lee, Hon Man

doi:10.1039/d3ra05016e

Cited by 3 publications

(1 citation statement)

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“…Therefore, theoretical calculations, combined with numerical simulations that provide better visual data, can accurately describe the essential problem and provide a reliable basis for experimental research. At the same time, the latter tests the truth of the theoretical calculations and numerical simulations [29][30][31]. Theoretical calculations and numerical simulations can design target photonic crystals and study their optical properties [32][33][34], which can provide reliable theoretical support and guidance for experiments and greatly promote the research process.…”

Section: Introductionmentioning

confidence: 88%

Designing and Tailoring Optical Properties: Theory and Simulation of Photonic Band Gaps in Photonic Materials

Zheng,

Meng,

Murtaza

et al. 2024

Photonics

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Theoretical calculations and numerical simulations play a crucial role in analyzing material properties and devising effective research strategies. In this study, the photonic band gap (PBG) of polymethyl methacrylate (PMMA) and polystyrene (PS) photonic crystals was successfully predicted using theoretical calculations and numerical simulations. The agreement between the predicted results and the actual reflection peaks reached an impressive level of 99%. Utilizing SEM images, the prediction of reflection peaks in acrylamide (AM) - based photonic hydrogels was conducted using theoretical formulas and Rsoft 2019–Bandsolve software. The relationship between the actual reflection peaks and compressive strains in AM-based photonic hydrogels featuring 251 nm PMMA PCs exhibited a remarkable similarity of over 96% with the theoretical and simulated results. In conclusion, an exploration was conducted into the relationship between reflection peaks and compressive strains for AM-based 270 nm PMMA photonic hydrogels, allowing the prediction of the actual reflection peaks under compression. The consistency observed between theoretical/simulated reflection peaks and actual reflection peaks validates the efficacy of this approach in evaluating the optical properties of photonic materials and predicting their responsive effects. This method offers a straightforward and expeditious solution for the design and fabrication of photonic materials.

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Section: Introductionmentioning

confidence: 88%

Designing and Tailoring Optical Properties: Theory and Simulation of Photonic Band Gaps in Photonic Materials

Zheng,

Meng,

Murtaza

et al. 2024

Photonics

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Nickel(ii) complexes with novel nitron-type NHC ligands: synthesis and catalytic activity in the Suzuki–Miyaura coupling of aryl chlorides

Pyatachenko,

Yu. Chernenko,

Soliev

et al. 2024

Mendeleev Communications

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Novel ruthenium(ii) complexes with chelating 1,2,4-triazole NHC ligands and their catalytic activity in the transfer hydrogenation of ketones

Chernenko,

Shepelenko,

Minyaev

et al. 2024

Mendeleev Communications

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Nitron-derivative-based palladium carbene complexes: structural characterization, theoretical calculations, and catalytic applications in the Mizoroki–Heck coupling reaction

Abstract: Palladium(0) NHC complexes, obtained from nitron and its derivatives, exhibited high efficacy in catalyzing the Mizoroki–Heck coupling reaction involving aryl chlorides.

Cited by 3 publications

References 58 publications

Designing and Tailoring Optical Properties: Theory and Simulation of Photonic Band Gaps in Photonic Materials

Designing and Tailoring Optical Properties: Theory and Simulation of Photonic Band Gaps in Photonic Materials

Nickel(ii) complexes with novel nitron-type NHC ligands: synthesis and catalytic activity in the Suzuki–Miyaura coupling of aryl chlorides

Novel ruthenium(ii) complexes with chelating 1,2,4-triazole NHC ligands and their catalytic activity in the transfer hydrogenation of ketones

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