Experimental and Theoretical Studies of Green Synthesized Cu2O Nanoparticles Using Datura Metel L

2022 ◽  
Author(s):  
Karuppaiah Chinnaiah ◽  
Vivek Maik ◽  
Karthik Kannan ◽  
V. Potemkin ◽  
M. Grishina ◽  
...  
Keyword(s):  
Theoretical Studies ◽  
Datura Metel ◽  
Cu2o Nanoparticles ◽  
Experimental And Theoretical Studies

Experimental And Theoretical Studies of Green Synthesized Cu2O Nanoparticles Using Datura Metel L

2021 ◽  
Author(s):  
Karuppaiah Chinnaiah ◽  
Vivek Maik ◽  
Karthik Kannan ◽  
V. Potemkin ◽  
M. Grishina ◽  
...  
Keyword(s):  
Density Functional ◽  
Thermodynamic Characteristics ◽  
Average Crystallite Size ◽  
Free Energies ◽  
Functional Theory ◽  
Synthesis Of Nanoparticles ◽  
Datura Metel ◽  
Cu2o Nanoparticles ◽  
Ft Ir ◽  
Experimental And Theoretical Studies

Abstract In biomedical applications, Cu2O nanoparticles are of great interest. The bioengineered route is eco-friendly for the synthesis of nanoparticles. Therefore, in the present study, there is an attempt to synthesis of Cu2O nanoparticles using Datura metel L. The synthesized nanoparticles were characterized by UV-Vis, XRD, and FT-IR. UV-Vis results suggest the presence of hyoscyamine, atropine in Datura metel L, and also, nanoparticles formation has been confirmed by the presence of absorption peak at 790 nm. The average crystallite size (19.56 nm) obtained by XRD. Further, the various functional groups have been confirmed through FT-IR. To highlight the peak of the dominant frequencies, Fourier Power Spectrum was also used to analyze the synthesized nanomaterials spectrum results. Density functional theory (DFT) further also used over a period of time to measure the energy of the substance, which seems to suggest a stable compound. Furthermore, the calculated energies, thermodynamic characteristics (such as enthalpies, entropies, Gibbs-free energies), modeled structures of complexes, crystals, and clusters, and predicted yields, rates, and regio- and stereospecificity of reactions were in good agreement with the experimental ones. Overall, the findings indicate the successful synthesis of Cu2O nanoparticles using Datura metel L. correlates with theoretical study.

The Stabilizing Effect of Pre-Equilibria: A Trifluoromethyl Complex as CF2 Reservoir in Catalytic Olefin Difluorocarbenation

2020 ◽  
Author(s):  
Thomas Louis-Goff ◽  
Huu Vinh Trinh ◽  
Eileen Chen ◽  
Arnold L. Rheingold ◽  
Christian Ehm ◽  
...  
Keyword(s):  
High Selectivity ◽  
Side Reactions ◽  
Theoretical Studies ◽  
Attractive Feature ◽  
Catalyst Recovery ◽  
Wide Range ◽  
Stabilizing Effect ◽  
Experimental And Theoretical Studies

A new, efficient, catalytic difluorocarbenation of olefins to give 1,1-difluorocyclopropanes is presented. The catalyst, an organobismuth complex, uses TMSCF<sub>3</sub> as a stoichiometric difluorocarbene source. We demonstrate both the viability and robustness of this reaction over a wide range of alkenes and alkynes, including electron-poor alkenes, to generate the corresponding 1,1-difluorocyclopropanes and 1,1-difluorocyclopropenes. Ease of catalyst recovery from the reaction mixture is another attractive feature of this method. In depth experimental and theoretical studies showed that the key difluorocarbene-generating step proceeds through a bismuth non-redox synchronous mechanism generating a highly reactive free CF<sub>2</sub> in an endergonic pre-equilibrium. It is the reversibility when generating the difluorocarbene that accounts for the high selectivity, while minimizing CF<sub>2</sub>-recombination side-reactions.

Strong coupling: resonant effects

2017 ◽  
Author(s):  
Alexey V. Kavokin ◽  
Jeremy J. Baumberg ◽  
Guillaume Malpuech ◽  
Fabrice P. Laussy
Keyword(s):  
Strong Coupling ◽  
Experimental Studies ◽  
Strong Coupling Regime ◽  
Theoretical Studies ◽  
Stimulated Scattering ◽  
Quantum Theories ◽  
Pump Probe ◽  
Exciton Polaritons ◽  
Linear Optical Properties ◽  
Experimental And Theoretical Studies

This chapter presents experimental studies performed on planar semiconductor microcavities in the strong-coupling regime. The first section reviews linear experiments performed in the 1990s that evidence the linear optical properties of cavity exciton-polaritons. The chapter is then focused on experimental and theoretical studies of resonantly excited microcavity emission. We mainly describe experimental configuations in which stimulated scattering was observed due to formation of a dynamical condensate of polaritons. Pump-probe and cw experiments are described in addition. Dressing of the polariton dispersion and bistability of the polariton system due to inter-condensate interactions are discussed. The semiclassical and the quantum theories of these effects are presented and their results analysed. The potential for realization of devices is also discussed.

Homo- and heterobimetallic trihydride complexes stabilized by the tripodal phosphine ligand MeC(CH2PPh2)3: experimental and theoretical studies

1989 ◽  
Vol 28 (13) ◽  
pp. 2552-2560 ◽  
Author(s):  
Claudio Bianchini ◽  
Franco Laschi ◽  
Dante Masi ◽  
Carlo Mealli ◽  
Andrea Meli ◽  
...  
Keyword(s):  
Phosphine Ligand ◽  
Theoretical Studies ◽  
Experimental And Theoretical Studies
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