scholarly journals Synergy between Ionic Liquids and CuCl2 in Gas–Liquid Phase Reactions of Acetylene Hydrochlorination

Catalysts ◽  
2019 ◽  
Vol 9 (6) ◽  
pp. 504 ◽  
Author(s):  
Yi Yu ◽  
Yuxue Yue ◽  
Bolin Wang ◽  
Haihua He ◽  
Zhong-Ting Hu ◽  
...  
Keyword(s):  
Catalytic Activity ◽  
Ionic Liquids ◽  
Activated Carbon ◽  
Liquid Phase ◽  
Dft Calculations ◽  
Synergetic Effect ◽  
Good Explanation ◽  
Experimental Results ◽  
Acetylene Hydrochlorination ◽  
Reaction Media

We studied the acetylene hydrochlorination in gas–liquid phase reactions using ionic liquids (IL) as the reaction media and CuCl2 as the catalyst. The Cu-IL catalyst showed strong synergy between the IL and the Cu(II) active catalytic species. For [PrMIm]Cl, the Cu-IL catalyst exhibited significant enhancement of the catalytic activity in comparison with the CuCl2 catalyst supported on activated carbon and the IL alone as the catalyst. We have also performed DFT calculations of the reaction process, which provides a good explanation of our experimental results and for the synergetic effect. Our result suggests that ILs may be used to improve the activity of other metallic catalysts for the hydrochlorination reaction of acetylene.

Liquid-Phase Hydrogenation to 2, 4-Tolylenediamine over Supported HY Catalysts

2012 ◽  
Vol 512-515 ◽  
pp. 2381-2385
Author(s):  
Xue Mei Zhang ◽  
Feng Xing Niu
Keyword(s):  
Catalytic Activity ◽  
Liquid Phase ◽  
Catalytic Hydrogenation ◽  
Active Component ◽  
Experimental Results ◽  
Mass Ratio ◽  
Liquid Phase Hydrogenation ◽  
Catalytic Test

We have successfully prepared a novel passivation Ni/HY catalyst by the technologies of macerate-precipitatio.The catalysts are comprised of two contents: HY as carrier, Ni as active component，and we put it into the process of preparating aromatic amines.The nature of the catalysts was discussed based on the characterization results of BET , IR , SEM , XRD , TEM ,TPD , XPS and TPR . The catalytic hydrogenation technology for 2,4-dinitrobenzene in liquid phase can be an attractive and elegant routine for production of 2,4-tolylenediamine. The catalytic activity is evaluated at 2.2 MPa, 90 °C, 750r/min, solvent with reaction materials mass ratio of 60, catalyst with reaction materials mass ratio of 0.1. In the catalytic test, The experimental results over the catalyst showed that 2,4-dinitrobenzene and 2,4-tolylenediamine conversion and selective of 99.88% and 99.16% were obtained respectively.It is found that the catalyst is highly dispersion, stable, and reusable. No obvious deactivation of the catalyst was observed after repeated using twelve times.

Gas-liquid acetylene hydrochlorination under nonmercuric catalysis using ionic liquids as reaction media

2011 ◽  
Vol 13 (6) ◽  
pp. 1495 ◽  
Author(s):  
Gang Qin ◽  
Yuhan Song ◽  
Rui Jin ◽  
Jun Shi ◽  
Zhiyong Yu ◽  
...  
Keyword(s):  
Ionic Liquids ◽  
Acetylene Hydrochlorination ◽  
Reaction Media

Granulated Carbon Nanotubes as the Catalyst Support for Pt for the Hydrogenation of Nitrobenzene

2010 ◽  
Vol 63 (1) ◽  
pp. 131 ◽  
Author(s):  
Shao Jin ◽  
Weizhong Qian ◽  
Yi Liu ◽  
Fei Wei ◽  
Dezeng Wang ◽  
...  
Keyword(s):  
Carbon Nanotubes ◽  
Mass Transfer ◽  
Catalytic Activity ◽  
Activated Carbon ◽  
Liquid Phase ◽  
Transfer Rate ◽  
High Selectivity ◽  
Mass Transfer Rate ◽  
Catalyst Support ◽  
Liquid Phase Hydrogenation

Granulated Pt/carbon nanotubes (CNTs) were found to have a much better catalytic activity in the liquid phase hydrogenation of nitrobenzene than Pt/activated carbon (AC). The granulated CNTs had much larger pores than the AC particles, which gave a faster mass transfer rate of H2 that helped produce aniline with high selectivity.

Experimental and theoretical studies on compositions, structures, and IR and NMR spectra of functionalized protic ionic liquids

2016 ◽  
Vol 18 (29) ◽  
pp. 19731-19737 ◽  
Author(s):  
Yingna Cui ◽  
Jingmei Yin ◽  
Changping Li ◽  
Shenmin Li ◽  
Ailing Wang ◽  
...  
Keyword(s):  
Ionic Liquids ◽  
Liquid Phase ◽  
Dft Calculations ◽  
Nmr Spectra ◽  
Theoretical Studies ◽  
Protic Ionic Liquids ◽  
Ir And Nmr Spectra ◽  
Experimental Spectroscopy ◽  
Experimental And Theoretical Studies

DMCEAP and DMEOAP are composed of neutral and ionized species in the liquid phase as investigated through experimental spectroscopy and DFT calculations.

Preparation of Activated Carbon Supported Nano-TiO2 Photocatalyst Material and its Application in Papermaking Midcourse Wastewater

2011 ◽  
Vol 311-313 ◽  
pp. 1446-1450
Author(s):  
Yuan Cai Lv ◽  
Chen Tian ◽  
Ai Yan ◽  
Ming Hua Liu
Keyword(s):  
Catalytic Activity ◽  
Activated Carbon ◽  
Radiation Intensity ◽  
Mass Concentration ◽  
Methyl Cellulose ◽  
Experimental Results ◽  
High Catalytic Activity ◽  
Repeated Use ◽  
Radiation Time

Activated carbon supported nano-TiO2 photocatalyst material was prepared with activated carbon as the carrier and carboxyl methyl cellulose (CMC) as the binder. The results indicated that the optimal TiO2 loading percentage could reach 11.46% when the mass concentration of binder in the dipping solution was 15 g/L. Meanwhile, the optimal experimental results showed that the removal percentage of CODCr from papermaking midcourse wastewater could reach 71.43% under the conditions of 10 W of radiation intensity, 240 minutes of radiation time, 15 g/L of photocatalyst dosage, 4.0 of wastewater pH and 3 mL/L of H2O2 dosage. And the effluent was able to reach China national discharge standard Ⅰ. Furthermore, after three times of repeated use, the activated carbon supported nano-TiO2 photocatalyst material still had a relatively high catalytic activity and stability, and the recycle percentage of the photocatalyst could reach 92.80%.

Effective liquid phase hydrodechlorination of diclofenac catalysed by Pd/CeO2

RSC Advances ◽  
2015 ◽  
Vol 5 (24) ◽  
pp. 18702-18709 ◽  
Author(s):  
Ke Wu ◽  
Xiaojun Qian ◽  
Liangyan Chen ◽  
Zhaoyi Xu ◽  
Shourong Zheng ◽  
...  
Keyword(s):  
Catalytic Activity ◽  
Activated Carbon ◽  
Liquid Phase ◽  
Palladium Catalyst

Palladium catalyst supported on CeO2 exhibited much higher catalytic activity for the liquid phase hydrodechlorination of diclofenac than those on Al2O3, activated carbon and SiO2.

scholarly journals Novel copper(I) complex of 2,5-Bis(2-pyridyl)phosphole: Synthesis, Characterization, Catalytic Activity and DFT Calculations

2021 ◽  
Author(s):  
Jeremy Guaramato ◽  
Franmerly Fuentes ◽  
Rocío Rivera-Campos ◽  
Deivi Oliveros ◽  
José R. Mora ◽  
...  
Keyword(s):  
Catalytic Activity ◽  
Dft Calculations ◽  
Dynamic Equilibrium ◽  
Experimental Results ◽  
Tetrahedral Geometry ◽  
Catalytic Potential

<p>A copper(I) complex [CuCl{<i>k</i><sup>1</sup>(P)-<b>1a</b>}{k<sup>2</sup>(P,N)-<b>1a</b>}] (<b>1a</b> = 2,5-bis(2-pyridyl)-1-phenylphosphole) with pseudo tetrahedral geometry was synthesized. In solution, <b>1a</b> displays a hemilabile behaviour leading to a dynamic equilibrium between four and three-coordinate specie. Its catalytic potential was tested in synthesis of propargylamines and 1,2,3-triazoles via three-component reactions. <a>Experimental results discussed on base to DFT calculations. </a></p>

scholarly journals Novel copper(I) complex of 2,5-Bis(2-pyridyl)phosphole: Synthesis, Characterization, Catalytic Activity and DFT Calculations

2021 ◽  
Author(s):  
Jeremy Guaramato ◽  
Franmerly Fuentes ◽  
Rocío Rivera-Campos ◽  
Deivi Oliveros ◽  
José R. Mora ◽  
...  
Keyword(s):  
Catalytic Activity ◽  
Dft Calculations ◽  
Dynamic Equilibrium ◽  
Experimental Results ◽  
Tetrahedral Geometry ◽  
Catalytic Potential

<p>A copper(I) complex [CuCl{<i>k</i><sup>1</sup>(P)-<b>1a</b>}{k<sup>2</sup>(P,N)-<b>1a</b>}] (<b>1a</b> = 2,5-bis(2-pyridyl)-1-phenylphosphole) with pseudo tetrahedral geometry was synthesized. In solution, <b>1a</b> displays a hemilabile behaviour leading to a dynamic equilibrium between four and three-coordinate specie. Its catalytic potential was tested in synthesis of propargylamines and 1,2,3-triazoles via three-component reactions. <a>Experimental results discussed on base to DFT calculations. </a></p>

Demystifying the mechanism of NMP ligands in promoting Cu-catalyzed acetylene hydrochlorination: insights from a density functional theory study

2020 ◽  
Vol 7 (17) ◽  
pp. 3204-3216
Author(s):  
Chaoyue Zhao ◽  
Xianming Zhang ◽  
Ziting He ◽  
Qingxin Guan ◽  
Wei Li
Keyword(s):  
Density Functional Theory ◽  
Dft Calculations ◽  
Density Functional ◽  
Experimental Results ◽  
Density Functional Theory Study ◽  
Promoting Effect ◽  
Functional Theory ◽  
Acetylene Hydrochlorination ◽  
Inhibiting Effect ◽  
Catalytic Reactivity

Experimental results and DFT calculations revealed the promoting effect of NMP on catalytic reactivity and the inhibiting effect of NMP on the reduction of Cu2+ to Cu+ and Cu0, respectively.

Synthesis of Novel α-amidino Carboxylic Acids and their Use as H-Bond Catalysts in Strecker Reaction

2018 ◽  
Vol 21 (8) ◽  
pp. 609-614
Author(s):  
Zahra Zaghari ◽  
Javad Azizian
Keyword(s):  
Hydrogen Bond ◽  
Catalytic Activity ◽  
Dft Calculations ◽  
Carboxylic Acids ◽  
Aromatic Ring ◽  
Experimental Results ◽  
Strecker Reaction ◽  
The Stability ◽  
Isatin Derivatives ◽  
Good Agreement

Aim and Objective: A wide variety of synthesized amidine derivatives are bioactive compounds. They show a vast range of medical properties. Therefore, a simple route for synthesis of novel class of amidine derivatives called amidino carboxylic acids and their use as catalysts in Strecker reaction has been reported in the current work. The stability, local charge density and hydrogen bond parameters were calculated for eight derivatives with different substituents. Materials and Methods: In order to synthesize these amidino carboxylic acids, we initially prepared Knovenogel condensation products via the reaction of isatin derivatives with malonitrile. When the reaction was performed in water, the resulting nitrile groups of malonitrile derivatives was hydrolyzed with HOAC/ H2SO4 to generate the desired amide groups. The amide groups in resulting compound converted to amine groups with two Hoffman rearrangements in the presence of NaOH/Br2. Further neutralization led to the final zwitterionic α-amidino carboxylic acids. In the next step, the catalytic activity of these compounds as H-bond donor catalyst was investigated in Strecker reaction. Results: The overall yields of the derivatives with substituent on the aromatic ring of starting isatins are higher than that for the overall yields of nitrogen-substituted isatins. The reaction of 5-nitro isatin with the next reagent gives lower yield in aryl-substituted products. An increase of catalytic activity is observed by rising the electron-withdrawing power of the aromatic ring substituents., The presence of nitro group in the structure of catalyst caused a large increase of catalytic activity in Strecker reaction. DFT calculations at B3LYP/6-31++g(d,p) and Lanl2dz level of theory showed that these compounds act as single H-bond catalysts and higher yields were obtained for complexes with stronger hydrogen bond. Conclusion: A simple and efficient method for synthesis of ɑ-amidino carboxylic acids was developed in this research. These compounds have been used as a single H-bond donor catalyst in the Strecker reaction. DFT calculations were carried out to confirm the experimental results. The obtained data from computations are in good agreement with experimental results.

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