An octahedral Mn(II) complex, [Mn(L)2] is synthesized with redox active ONS donor azo-thioether pincer ligand, 3-(2-(2-(methylthio)phenyl)hydrazono)pentane-2,4-dione (HL). The complex is thoroughly characterized by means of several spectroscopic methods. The geometry of the complex is authenticated by the single-crystal X-ray diffraction technique. X-ray structure of [Mn(L)2] revealed that HL is coordinated to three adjacent sites of Mn through thioether-S, azo-N, and enoloic-O atoms in meridional configuration. Theoretical calculation by DFT/B3LYP is carried out to interpret the electronic structure of [Mn(L)2]. Cyclic voltammogram of [Mn(L)2] in acetonitrile exhibit Mn(II)/Mn(III) oxidation and ligand-based reduction couples with reference to Ag/AgCl reference electrode.
Graphical abstract
A pseudo octahedral Mn(II) complex, [Mn(L)2] with ONS donor azo-thioether pincer ligand (HL) has been synthesized and thoroughly characterized by spectroscopic techniques. Electronic and X-ray structures of the complex have been studied by experimental results abetted with theoretical computation. Cyclic voltammogram of [Mn(L)2] in acetonitrile exhibits Mn(II)/Mn(III) oxidation and ligand based reduction couples in acetonitrile.
{"title":"Manganese(II) complex with ONS donor redox non-innocent azo-thioether pincer ligand: synthesis, X-ray structure, electrochemistry and DFT computation","authors":"Apurba Sau Mondal, Rahul Naskar, Chandan Kumar Manna, Tapan Kumar Mondal","doi":"10.1007/s12039-022-02080-y","DOIUrl":"10.1007/s12039-022-02080-y","url":null,"abstract":"<div><p>An octahedral Mn(II) complex, [Mn(L)<sub>2</sub>] is synthesized with redox active ONS donor azo-thioether pincer ligand, 3-(2-(2-(methylthio)phenyl)hydrazono)pentane-2,4-dione (HL). The complex is thoroughly characterized by means of several spectroscopic methods. The geometry of the complex is authenticated by the single-crystal X-ray diffraction technique. X-ray structure of [Mn(L)<sub>2</sub>] revealed that HL is coordinated to three adjacent sites of Mn through thioether-S, azo-N, and enoloic-O atoms in meridional configuration. Theoretical calculation by DFT/B3LYP is carried out to interpret the electronic structure of [Mn(L)<sub>2</sub>]. Cyclic voltammogram of [Mn(L)<sub>2</sub>] in acetonitrile exhibit Mn(II)/Mn(III) oxidation and ligand-based reduction couples with reference to Ag/AgCl reference electrode.</p><h3>Graphical abstract</h3><p>A pseudo octahedral Mn(II) complex, [Mn(L)<sub>2</sub>] with ONS donor azo-thioether pincer ligand (HL) has been synthesized and thoroughly characterized by spectroscopic techniques. Electronic and X-ray structures of the complex have been studied by experimental results abetted with theoretical computation. Cyclic voltammogram of [Mn(L)<sub>2</sub>] in acetonitrile exhibits Mn(II)/Mn(III) oxidation and ligand based reduction couples in acetonitrile.\u0000</p><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":50242,"journal":{"name":"Journal of Chemical Sciences","volume":"134 3","pages":""},"PeriodicalIF":1.7,"publicationDate":"2022-08-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s12039-022-02080-y.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"77594512","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
A convenient method for synthesis of quinoxaline has been accomplished by cyclo condensation of substituted phenacyl bromides with o-phenylenediamines in ZnFe2O4 as a bimetallic and eco-friendly catalyst. The auxiliary benefits of the current protocol include short reaction time, mild reaction conditions, reusability of catalyst, ambient temperature, a wide substrate scope, a simple work-up procedure, good yields, and no chromatographic separation. Similarly, it was observed that under these reaction conditions, we had achieved all the above-mentioned benefits easily as compared to already known methods for the synthesis of quinoxalines. Therefore, this methodological approach will generate new pathways to synthesize the derivatives of quinoxalines on the industrial scale too.
Graphical abstract
In the present protocol, the synthesis of quinoxaline derivatives is described using various substituted phenacyl bromides and o-phenylenediamines as starting materials in ZnFe2O4 as a bimetallic and eco-friendly catalyst at room temperature. Here, Dimethylformamide is used as a solvent with high yields.
{"title":"Zinc ferrite as reusable and green catalyst for synthesis of quinoxaline derivatives","authors":"Ganesh Baburao Pund, Sambhaji Tukaram Dhumal, Madhav Janardan Hebade, Mazahar Farooqui, Bhagwansing Shivsing Dobhal","doi":"10.1007/s12039-022-02074-w","DOIUrl":"10.1007/s12039-022-02074-w","url":null,"abstract":"<div><p>A convenient method for synthesis of quinoxaline has been accomplished by cyclo condensation of substituted phenacyl bromides with <i>o</i>-phenylenediamines in ZnFe<sub>2</sub>O<sub>4</sub> as a bimetallic and eco-friendly catalyst. The auxiliary benefits of the current protocol include short reaction time, mild reaction conditions, reusability of catalyst, ambient temperature, a wide substrate scope, a simple work-up procedure, good yields, and no chromatographic separation. Similarly, it was observed that under these reaction conditions, we had achieved all the above-mentioned benefits easily as compared to already known methods for the synthesis of quinoxalines. Therefore, this methodological approach will generate new pathways to synthesize the derivatives of quinoxalines on the industrial scale too.</p><h3>Graphical abstract</h3><p>In the present protocol, the synthesis of quinoxaline derivatives is described using various substituted phenacyl bromides and <i>o</i>-phenylenediamines as starting materials in ZnFe<sub>2</sub>O<sub>4</sub> as a bimetallic and eco-friendly catalyst at room temperature. Here, Dimethylformamide is used as a solvent with high yields.</p><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":50242,"journal":{"name":"Journal of Chemical Sciences","volume":"134 3","pages":""},"PeriodicalIF":1.7,"publicationDate":"2022-08-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"80017108","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2022-07-30DOI: 10.1007/s12039-022-02078-6
R. Gunupuru, Debdeep Maity, G. Vyas, P. Paul
{"title":"Water dispersible glycylglycine functionalized gold nanoparticles: application in colorimetric sensing of Hg(II), Pb(II) and Cr(III) in aqueous media","authors":"R. Gunupuru, Debdeep Maity, G. Vyas, P. Paul","doi":"10.1007/s12039-022-02078-6","DOIUrl":"https://doi.org/10.1007/s12039-022-02078-6","url":null,"abstract":"","PeriodicalId":50242,"journal":{"name":"Journal of Chemical Sciences","volume":"2010 1","pages":""},"PeriodicalIF":1.7,"publicationDate":"2022-07-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"86299024","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2022-07-30DOI: 10.1007/s12039-022-02078-6
Ravi Gunupuru, Debdeep Maity, Gaurav Vyas, Parimal Paul
Glycylglycine functionalized water-dispersible gold nanoparticles (AuNPs) were prepared and characterized on the basis of ultraviolet and visible spectroscopy (UV-vis), Fourier transform infrared (FTIR), dynamic light scattering (DLS), transmission electron microscope (TEM) and energy dispersive X-ray (EDX) analysis. The AuNPs exhibited a strong SPR band at 522 nm, which after functionalization with glycylglycine, appeared at 525 nm. This SPR band of the functionalized nanoparticles is used as a tool for the detection of toxic metal ions in water. A large number of metal ions were tested, among which Hg2+, Pb2+, and Cr3+ exhibited distinct colour change, detectable with bare eye, and substantial UV-vis spectral change. TEM images and EDX analysis suggested that the colour change is due to metal-induced aggregation of the functionalized nanoparticles due to inter-particle plasmon coupling. The aggregation, which resulted in an increase in particle size, is further confirmed by DLS measurement. A mechanism of metal-induced aggregation is also proposed. The present study is an example of a simple methodology to prepare water-dispersible functionalized nanoparticle for colorimetric detection of toxic heavy metal ions such as Cr3+, Pb2+, and Hg2+ with high sensitivity.
Graphical abstract
Synopsis Glycylglycine functionalized water dispersible gold nanoaprticles were prepared, characterized and its metal-ion sensing property was evaluated with the aid of spectroscopic, microscopic and energy dispersive X-ray analysis. These nanoparticles detect Hg2+, Pb2+ and Cr3+ with colour change due to inter particle plasmon coupling because of metal-induced aggregation of the nanoparticles.
{"title":"Water dispersible glycylglycine functionalized gold nanoparticles: application in colorimetric sensing of Hg(II), Pb(II) and Cr(III) in aqueous media","authors":"Ravi Gunupuru, Debdeep Maity, Gaurav Vyas, Parimal Paul","doi":"10.1007/s12039-022-02078-6","DOIUrl":"10.1007/s12039-022-02078-6","url":null,"abstract":"<div><p>Glycylglycine functionalized water-dispersible gold nanoparticles (AuNPs) were prepared and characterized on the basis of ultraviolet and visible spectroscopy (UV-vis), Fourier transform infrared (FTIR), dynamic light scattering (DLS), transmission electron microscope (TEM) and energy dispersive X-ray (EDX) analysis. The AuNPs exhibited a strong SPR band at 522 nm, which after functionalization with glycylglycine, appeared at 525 nm. This SPR band of the functionalized nanoparticles is used as a tool for the detection of toxic metal ions in water. A large number of metal ions were tested, among which Hg<sup>2+</sup>, Pb<sup>2+</sup>, and Cr<sup>3+</sup> exhibited distinct colour change, detectable with bare eye, and substantial UV-vis spectral change. TEM images and EDX analysis suggested that the colour change is due to metal-induced aggregation of the functionalized nanoparticles due to inter-particle plasmon coupling. The aggregation, which resulted in an increase in particle size, is further confirmed by DLS measurement. A mechanism of metal-induced aggregation is also proposed. The present study is an example of a simple methodology to prepare water-dispersible functionalized nanoparticle for colorimetric detection of toxic heavy metal ions such as Cr<sup>3+</sup>, Pb<sup>2+,</sup> and Hg<sup>2+</sup> with high sensitivity.</p><h3>Graphical abstract</h3>\u0000 <div><figure><div><div><picture><source><img></source></picture></div></div></figure></div>\u0000 <p><i>Synopsis</i> Glycylglycine functionalized water dispersible gold nanoaprticles were prepared, characterized and its metal-ion sensing property was evaluated with the aid of spectroscopic, microscopic and energy dispersive X-ray analysis. These nanoparticles detect Hg<sup>2+</sup>, Pb<sup>2+</sup> and Cr<sup>3+</sup> with colour change due to inter particle plasmon coupling because of metal-induced aggregation of the nanoparticles. </p></div>","PeriodicalId":50242,"journal":{"name":"Journal of Chemical Sciences","volume":"134 3","pages":""},"PeriodicalIF":1.7,"publicationDate":"2022-07-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"118994457","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2022-07-20DOI: 10.1007/s12039-022-02071-z
Yassine Ghandour, Chadlia Mchiri, Imen Mestiri, Abdullah Y A Alzahrani, Habib Nasri
In this study, a new Co(II)-substituted Keggin-type polyoxomolybdate was synthesized at room temperature and characterized by FT-IR, powder X-ray diffraction (PXRD), UV-visible spectroscopy, TG-DTA thermal analysis, single crystal X-ray diffraction technique and cyclic voltammetry study. The crystal packing exhibits non-conventional C−H···O and C−H···S hydrogen bonds which lead to a three-dimensional supramolecular framework. The catalytic property of compound (1) was positivity tested in the degradation of crystal violet dye (CV) investigated.
Graphical abstract
A new organic-inorganic compound based on Keggin anions and Cobalt (II)ions, namely [Co(C2H6OS)6]2[HPMo11O39Co(C2H6OS)] .2(C2H6OS) ·2.5(H2O) (1) was synthesized and characterized by single-crystal X-Ray diffraction, IR, thermal analyses and cyclic voltammetry. The catalytic ability of (1) for decolorization of Crystal violet dye from aqueous solutions has been investigated.
{"title":"Insights into the new cobalt (II) monosubstituted keggin-type polyoxomolybdate: synthesis, characterizations, and application in the catalytic degradation of crystal violet dye","authors":"Yassine Ghandour, Chadlia Mchiri, Imen Mestiri, Abdullah Y A Alzahrani, Habib Nasri","doi":"10.1007/s12039-022-02071-z","DOIUrl":"10.1007/s12039-022-02071-z","url":null,"abstract":"<div><p>In this study, a new Co(II)-substituted Keggin-type polyoxomolybdate was synthesized at room temperature and characterized by FT-IR, powder X-ray diffraction (PXRD), UV-visible spectroscopy, TG-DTA thermal analysis, single crystal X-ray diffraction technique and cyclic voltammetry study. The crystal packing exhibits non-conventional C−H···O and C−H···S hydrogen bonds which lead to a three-dimensional supramolecular framework. The catalytic property of compound (<b>1</b>) was positivity tested in the degradation of crystal violet dye (CV) investigated.</p><h3>Graphical abstract</h3><p>A new organic-inorganic compound based on Keggin anions and Cobalt (II)ions, namely [Co(C<sub>2</sub>H<sub>6</sub>OS)<sub>6</sub>]<sub>2</sub>[HPMo<sub>11</sub>O<sub>39</sub>Co(C<sub>2</sub>H<sub>6</sub>OS)] .2(C<sub>2</sub>H<sub>6</sub>OS) ·2.5(H<sub>2</sub>O) (<b>1</b>) was synthesized and characterized by single-crystal X-Ray diffraction, IR, thermal analyses and cyclic voltammetry. The catalytic ability of (<b>1</b>) for decolorization of Crystal violet dye from aqueous solutions has been investigated.\u0000</p><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":50242,"journal":{"name":"Journal of Chemical Sciences","volume":"134 3","pages":""},"PeriodicalIF":1.7,"publicationDate":"2022-07-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"78189646","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2022-07-20DOI: 10.1007/s12039-022-02064-y
SUSMA DAS, SHIVANGI BORKOTOKY, MAXMILLANDO RYMBAI, VEDANT V BORAH, JAYANTI D ROY, SHUNAN KAPING, PHILIPPE HELISSEY, JAI N VISHWAKARMA
It was observed that when two prominent bioactive compounds fused together, the new hybrid showed much more promising possessions. Aiming this, here we have fused pyrazolo[1,5-a]pyrimidines with ferrocene, both of which are popularly known as the bio-active molecular core, employing a very simple and facile synthetic strategy using a mild acid KHSO4 as a catalyst under ultrasonic irradiation. The structures of these synthesized novel compounds were confirmed by their spectral and analytical data. The single-crystal X-ray crystallographic analysis of a selected compound reveals that the 7-ferrocenyl-pyrazolo[1,5-a]pyrimidine (C22H16ClFeN3) hybrid interestingly exists as a dimer and forms a triclinic crystal system with P1 space group (no. 2), a = 7.554(3) Å, b = 13.650(6) Å, c = 18.444(8) Å, α = 96.938(7)o, β = 90.034(7)o, γ = 106.015(6)o, V = 1813.5(14) Å3, Z = 4, µ(MoKα)= 0.990 mm−1, wavelength = 0.71073 Å, Dcalc = 1.515 g/cm3 with 42808 measured reflection (4.452° ≤ 2θ ≤ 58.312°), 9524 unique reflections (Rint = 0.1267, Rsigma = 0.1390) were used in all the calculations. The final R1 obtained was 0.0570 (I>2σ(I)) with wR2 = 0.1656 for all data. Most of the compounds exhibited encouraging antioxidant activities like compounds 3b-c, 3k-l and 3n exhibited prominent nitric-oxide scavenging activities, while compounds 3a-d, 3g, 3k, 3n, and 3o are promising DPPH-scavengers. Compounds 3i-k and 3m exhibited antibacterial activities at MIC of 500 µg/mL, while 3p exhibited activities at MIC of 250 µg/mL. Five of the compounds, 3i-k, 3m, and 3p, were found to possess anti-biofilm activities against both Gram-positive and Gram-negative bacteria.
Graphical abstract
Synopsis: Novel ferrocene-pyrazolo[1,5-a]pyrimidine hybrids were synthesized and investigated for their anti-oxidant, anti-bacterial and anti-biofilm properties. Almost all of the new compounds mentioned have anti-oxidant capabilities and a few of them also exhibited anti-bacterial and anti-biofilm properties
人们观察到，当两种突出的生物活性化合物融合在一起时，新的杂交种显示出更有希望的特性。针对这一点，我们将吡唑[1,5-a]嘧啶与二茂铁融合，这两种物质通常被称为生物活性分子核心，采用一种非常简单和容易的合成策略，使用温和的硫酸氢钾作为催化剂，在超声波照射下。这些合成的新化合物的结构经光谱和分析数据证实。单晶x射线晶体学分析表明，7-二茂铁基-吡唑[1,5-a]嘧啶(C22H16ClFeN3)杂化物有趣地以二聚体的形式存在，并与P1空间群形成三斜晶体体系。2)， a = 7.554(3) Å， b = 13.650(6) Å， c = 18.444(8) Å， α = 96.938(7)o， β = 90.034(7)o， γ = 106.015(6)o, V = 1813.5(14) Å3, Z = 4，µ(MoKα)= 0.990 mm−1，波长= 0.71073 Å， Dcalc = 1.515 g/cm3，测量反射42808个(4.452°≤2θ≤58.312°)，唯一反射9524个(Rint = 0.1267, Rsigma = 0.1390)。最终得到的R1为0.0570 (I>2σ(I))， wR2 = 0.1656。化合物3b-c、3k- 1和3n具有较强的抗氧化活性，而化合物3a-d、3g、3k、3n和30是较有前景的dpph清除剂。化合物3i-k和3m在MIC为500µg/mL时表现出抗菌活性，而3p在MIC为250µg/mL时表现出抗菌活性。其中5个化合物，3i-k, 3m和3p，被发现对革兰氏阳性和革兰氏阴性细菌都具有抗生物膜活性。摘要:合成了新型二茂铁-吡唑啉[1,5-a]嘧啶杂合体，并对其抗氧化、抗菌和抗生物膜性能进行了研究。几乎所有的新化合物都具有抗氧化能力，其中一些化合物还具有抗菌和抗生物膜的特性
{"title":"Novel ferrocene-pyrazolo[1,5-a]pyrimidine hybrids: A facile environment-friendly regioselective synthesis, structure elucidation, and their antioxidant, antibacterial, and anti-biofilm activities","authors":"SUSMA DAS, SHIVANGI BORKOTOKY, MAXMILLANDO RYMBAI, VEDANT V BORAH, JAYANTI D ROY, SHUNAN KAPING, PHILIPPE HELISSEY, JAI N VISHWAKARMA","doi":"10.1007/s12039-022-02064-y","DOIUrl":"10.1007/s12039-022-02064-y","url":null,"abstract":"<div><p>It was observed that when two prominent bioactive compounds fused together, the new hybrid showed much more promising possessions. Aiming this, here we have fused pyrazolo[1,5-<i>a</i>]pyrimidines with ferrocene, both of which are popularly known as the bio-active molecular core, employing a very simple and facile synthetic strategy using a mild acid KHSO<sub>4</sub> as a catalyst under ultrasonic irradiation. The structures of these synthesized novel compounds were confirmed by their spectral and analytical data. The single-crystal X-ray crystallographic analysis of a selected compound reveals that the 7-ferrocenyl-pyrazolo[1,5-<i>a</i>]pyrimidine (C<sub>22</sub>H<sub>16</sub>ClFeN<sub>3</sub>) hybrid interestingly exists as a dimer and forms a triclinic crystal system with P<sub>1</sub> space group (no. 2), a = 7.554(3) Å, b = 13.650(6) Å, c = 18.444(8) Å, α = 96.938(7)<sup>o</sup>, β = 90.034(7)<sup>o</sup>, γ = 106.015(6)<sup>o</sup>, V = 1813.5(14) Å<sup>3</sup>, Z = 4, µ(Mo<i>K</i>α)= 0.990 mm<sup>−1</sup>, wavelength = 0.71073 Å, D<sub>calc</sub> = 1.515 g/cm<sup>3</sup> with 42808 measured reflection (4.452° ≤ 2θ ≤ 58.312°), 9524 unique reflections (R<sub>int</sub> = 0.1267, R<sub>sigma</sub> = 0.1390) were used in all the calculations. The final R<sub>1</sub> obtained was 0.0570 (I>2σ(<i>I</i>)) with wR<sub>2</sub> = 0.1656 for all data. Most of the compounds exhibited encouraging antioxidant activities like compounds <b>3b-c</b>, <b>3k-l</b> and <b>3n</b> exhibited prominent nitric-oxide scavenging activities, while compounds <b>3a-d</b>, <b>3g</b>, <b>3k</b>, <b>3n</b>, and <b>3o</b> are promising DPPH-scavengers. Compounds <b>3i-k</b> and <b>3m</b> exhibited antibacterial activities at MIC of 500 µg/mL, while <b>3p</b> exhibited activities at MIC of 250 µg/mL. Five of the compounds, <b>3i</b>-<b>k</b>, <b>3m</b>, and <b>3p</b>, were found to possess anti-biofilm activities against both Gram-positive and Gram-negative bacteria.</p><h3>Graphical abstract</h3>\u0000 <div><figure><div><div><picture><source><img></source></picture></div></div></figure></div>\u0000 <p><i>Synopsis</i>: Novel ferrocene-pyrazolo[1,5-a]pyrimidine hybrids were synthesized and investigated for their anti-oxidant, anti-bacterial and anti-biofilm properties. Almost all of the new compounds mentioned have anti-oxidant capabilities and a few of them also exhibited anti-bacterial and anti-biofilm properties </p></div>","PeriodicalId":50242,"journal":{"name":"Journal of Chemical Sciences","volume":"134 3","pages":""},"PeriodicalIF":1.7,"publicationDate":"2022-07-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"81162922","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2022-07-12DOI: 10.1007/s12039-022-02072-y
Wanting Bao, Junhua You, Yao Zhao, Lu Wang, Ruyue Yao
Electrochemical water splitting has excellent application prospects in clean energy technology. However, due to the large overpotential required for the OER reaction during the water-splitting reaction, the modification of electrocatalysts is a vital strategy to address the slow kinetics of the OER reaction. In this paper, a simple and rapid two-step hydrothermal sulfidation method was used to prepare S-modified Ni(OH)2 nanosheets electrocatalysts at 120 °C. At the same time, the well-designed nanostructured catalyst on the nickel foam substrate exposes a large number of active sites, and the simultaneously generated oxygen vacancies are beneficial to the penetration of the electrolyte and release of O2, thus significantly improving the OER performance. In 1.0 M KOH electrolyte, Ni9S8/Ni(OH)2/NF exhibits excellent catalytic activity for OER. The catalyst requires only 430 mV overpotential at a current density of 100 mA cm-2. In addition, Ni9S8/Ni(OH)2/NF also has excellent long-term stability.
Graphical abstract
This work reports the formation of Ni9S8/Ni(OH)2/NF heterojunctions by sulfiding Ni(OH)2 on porous nickel foam. Surprisingly, these Ni9S8/Ni(OH)2/NF heterojunctions exhibit excellent oxygen evolution reaction performance and long-term stability. This is superior to most reported electrocatalysts for oxygen evolution reactions.
电化学水分解在清洁能源技术中具有良好的应用前景。然而，由于在水分解反应中OER反应需要较大的过电位，因此电催化剂的改性是解决OER反应缓慢动力学的重要策略。本文采用简单、快速的两步水热硫化法制备了s修饰的Ni(OH)2纳米片电催化剂，温度为120℃。同时，在泡沫镍基体上精心设计的纳米结构催化剂暴露出大量活性位点，同时生成的氧空位有利于电解质的渗透和O2的释放，从而显著提高OER性能。在1.0 M KOH电解液中，Ni9S8/Ni(OH)2/NF对OER表现出优异的催化活性。催化剂只需要430毫伏的过电位，电流密度为100毫安厘米-2。此外，Ni9S8/Ni(OH)2/NF还具有优异的长期稳定性。本文报道了将Ni(OH)2硫化在多孔泡沫镍上形成Ni9S8/Ni(OH)2/NF异质结。令人惊讶的是，这些Ni9S8/Ni(OH)2/NF异质结具有优异的析氧反应性能和长期稳定性。这优于大多数报道的析氧反应的电催化剂。
{"title":"Enhanced oxygen evolution reaction activity of Ni(OH)2 nanosheets via the modified effect of sulfur","authors":"Wanting Bao, Junhua You, Yao Zhao, Lu Wang, Ruyue Yao","doi":"10.1007/s12039-022-02072-y","DOIUrl":"10.1007/s12039-022-02072-y","url":null,"abstract":"<div><p>Electrochemical water splitting has excellent application prospects in clean energy technology. However, due to the large overpotential required for the OER reaction during the water-splitting reaction, the modification of electrocatalysts is a vital strategy to address the slow kinetics of the OER reaction. In this paper, a simple and rapid two-step hydrothermal sulfidation method was used to prepare S-modified Ni(OH)<sub>2</sub> nanosheets electrocatalysts at 120 °C. At the same time, the well-designed nanostructured catalyst on the nickel foam substrate exposes a large number of active sites, and the simultaneously generated oxygen vacancies are beneficial to the penetration of the electrolyte and release of O<sub>2</sub>, thus significantly improving the OER performance. In 1.0 M KOH electrolyte, Ni<sub>9</sub>S<sub>8</sub>/Ni(OH)<sub>2</sub>/NF exhibits excellent catalytic activity for OER. The catalyst requires only 430 mV overpotential at a current density of 100 mA cm<sup>-2</sup>. In addition, Ni<sub>9</sub>S<sub>8</sub>/Ni(OH)<sub>2</sub>/NF also has excellent long-term stability.</p><h3>Graphical abstract</h3><p>This work reports the formation of Ni<sub>9</sub>S<sub>8</sub>/Ni(OH)<sub>2</sub>/NF heterojunctions by sulfiding Ni(OH)<sub>2</sub> on porous nickel foam. Surprisingly, these Ni<sub>9</sub>S<sub>8</sub>/Ni(OH)<sub>2</sub>/NF heterojunctions exhibit excellent oxygen evolution reaction performance and long-term stability. This is superior to most reported electrocatalysts for oxygen evolution reactions.\u0000</p><figure><div><div><div><picture><source><img></source></picture></div></div></div></figure></div>","PeriodicalId":50242,"journal":{"name":"Journal of Chemical Sciences","volume":"134 3","pages":""},"PeriodicalIF":1.7,"publicationDate":"2022-07-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"4498581","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2022-07-11DOI: 10.1007/s12039-022-02069-7
M ALIAKBARI, R M GHOLAMI, S M BORGHEI
Excess fluoride is one of the water pollutants in the world, which is removed from water by chemical methods to produce sludge. On the other hand, techniques such as R.O. (Reverse Osmosis) also have problems with power consumption and wastewater disposal. Metal-organic frameworks are one of the newest adsorbents used to separate anions. In this study, MOF1 ({[Zn3L3(BPE)1.5]·4.5DMF}n) was used to remove fluoride from the aqueous solution. The influence of various factors such as pH, contact time, adsorbent amount, and temperature on fluoride uptake was investigated. Based on the results, the MOF synthesized in acidic media absorbs more fluoride ions. The reaction time in the first 20 min had a significant effect on fluoride removal, but its impact was significantly reduced in longer times. Increasing the adsorbent mass to reach saturation was adequate, but the ambient temperature of the water had no significant impact on the adsorption of fluoride ions. The results of kinetic studies confirm the pseudo-second-order kinetics of fluoride adsorption reactions in the presence of MOF1. Also, in this research, the central zinc metal has been used as a zwitterion to reduce the environmental effects of MOF.
Graphical abstract
Positive nitrogens on the surface of MOF1 pores are suitable sites for the adsorption of fluoride ions through electrostatic interactions, leading to the efficient removal of fluoride from the aqueous solution by this zwitterion metal-organic framework.
{"title":"A zwitterion metal-organic framework for the removal of fluoride from an aqueous solution","authors":"M ALIAKBARI, R M GHOLAMI, S M BORGHEI","doi":"10.1007/s12039-022-02069-7","DOIUrl":"10.1007/s12039-022-02069-7","url":null,"abstract":"<div><p>Excess fluoride is one of the water pollutants in the world, which is removed from water by chemical methods to produce sludge. On the other hand, techniques such as R.O. (Reverse Osmosis) also have problems with power consumption and wastewater disposal. Metal-organic frameworks are one of the newest adsorbents used to separate anions. In this study, MOF1 ({[Zn<sub>3</sub>L<sub>3</sub>(BPE)<sub>1.5</sub>]·4.5DMF}<sub>n</sub>) was used to remove fluoride from the aqueous solution. The influence of various factors such as pH, contact time, adsorbent amount, and temperature on fluoride uptake was investigated. Based on the results, the MOF synthesized in acidic media absorbs more fluoride ions. The reaction time in the first 20 min had a significant effect on fluoride removal, but its impact was significantly reduced in longer times. Increasing the adsorbent mass to reach saturation was adequate, but the ambient temperature of the water had no significant impact on the adsorption of fluoride ions. The results of kinetic studies confirm the pseudo-second-order kinetics of fluoride adsorption reactions in the presence of MOF1. Also, in this research, the central zinc metal has been used as a zwitterion to reduce the environmental effects of MOF.</p><h3>Graphical abstract</h3><p>Positive nitrogens on the surface of MOF1 pores are suitable sites for the adsorption of fluoride ions through electrostatic interactions, leading to the efficient removal of fluoride from the aqueous solution by this zwitterion metal-organic framework.</p>\u0000 <figure><div><div><div><picture><source><img></source></picture></div></div></div></figure>\u0000 </div>","PeriodicalId":50242,"journal":{"name":"Journal of Chemical Sciences","volume":"134 3","pages":""},"PeriodicalIF":1.7,"publicationDate":"2022-07-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"4459590","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2022-07-01DOI: 10.1007/s12039-022-02063-z
Sadananda Kumbhakar, Bishnubasu Giri, Arabinda Muley, Kalai Selvan Karumban, Chinmoy Biswas, Sai Santosh Kumar Raavi, Somnath Maji
Two novel mononuclear heteroleptic Ru(II) photosensitizers with 2-(1H-benzo[d]imidazol-2-yl)quinoline derivatives were designed and successfully synthesized. The facile synthesis and their photophysical properties are investigated. Both the Ru(II) complexes i.e., [RuII(bpy)2(L1)](ClO4) : [1](ClO4) and [RuII(bpy)2(L2)](ClO4)2 : [2](ClO4)2 {L1 = 2-(1H-benzo[d]imidazol-2-yl)quinoline and L2 = 2-(1-methyl-1H-benzo[d]imidazol-2-yl)quinoline} have been meticulously characterized by different spectroscopic and analytical techniques such as FT–IR, 1H NMR, ESI mass spectra, UV–vis and fluorescence spectroscopy, etc. Molecular structures of [1](ClO4) and [2](ClO4)2 have been determined by a single-crystal X-ray structure diffraction study. Redox and spectral properties of the synthesized Ru(II) complexes were examined along with their corresponding ligands and compared with the classic homoleptic [RuII(bpy)3](PF6)2. The effects on substituents in the ligand backbone were scrutinised. The emission behaviour of both [1](ClO4) and [2](ClO4)2 revealed relatively long-lived emissive 3MLCT and bathochromic shift (~ 715 nm) while compared with [RuII(bpy)3](PF6)2 (~ 605 nm). Fairly weak quantum yields for [1](ClO4) and [2](ClO4)2 : ∼ 0.00299 and ∼ 0.00295 with half-lives 181.57 ns and 198.89 ns, respectively, suggested different non-radiative emission pathways. Additionally, for [1](ClO4) and [2](ClO4)2, electrochemical reduction of carbon dioxide (CO2) in dry acetonitrile solvent was performed and showed great promises for future designing of electrochemical reduction of CO2.
Graphical abstract
Two mononuclear heteroleptic Ru(II) photosensitizers [1](ClO4) and [2](ClO4)2 containing 2-(1H-benzo[d]imidazol-2-yl)quinoline ligand were synthesized and investigated via FT–IR, 1H NMR, ESI mass spectra, UV–vis, time-resolved photoluminescence spectroscopy, X-ray structure, etc. Both [1](ClO4) and [2](ClO4)2 showed great promises for electrochemical reduction of carbon dioxide in dry acetonitrile.
{"title":"Synthesis, characterization, structural and photophysical properties of heteroleptic ruthenium complexes containing 2-(1H-benzo[d]imidazol-2-yl)quinoline ligand towards electrocatalytic CO2 reduction","authors":"Sadananda Kumbhakar, Bishnubasu Giri, Arabinda Muley, Kalai Selvan Karumban, Chinmoy Biswas, Sai Santosh Kumar Raavi, Somnath Maji","doi":"10.1007/s12039-022-02063-z","DOIUrl":"10.1007/s12039-022-02063-z","url":null,"abstract":"<div><p>Two novel mononuclear heteroleptic Ru(II) photosensitizers with 2-(1H-benzo[d]imidazol-2-yl)quinoline derivatives were designed and successfully synthesized. The facile synthesis and their photophysical properties are investigated. Both the Ru(II) complexes i.e., [Ru<sup>II</sup>(bpy)<sub>2</sub>(<b>L</b><sup><b>1</b></sup>)](ClO<sub>4</sub>) : [<b>1</b>](ClO<sub>4</sub>) and [Ru<sup>II</sup>(bpy)<sub>2</sub>(<b>L</b><sup><b>2</b></sup>)](ClO<sub>4</sub>)<sub>2</sub> : [<b>2</b>](ClO<sub>4</sub>)<sub>2</sub> {<b>L</b><sup><b>1</b></sup> = 2-(1H-benzo[d]imidazol-2-yl)quinoline and <b>L</b><sup><b>2</b></sup> = 2-(1-methyl-1H-benzo[d]imidazol-2-yl)quinoline} have been meticulously characterized by different spectroscopic and analytical techniques such as FT–IR, <sup>1</sup>H NMR, ESI mass spectra, UV–vis and fluorescence spectroscopy, etc. Molecular structures of [<b>1</b>](ClO<sub>4</sub>) and [<b>2</b>](ClO<sub>4</sub>)<sub>2</sub> have been determined by a single-crystal X-ray structure diffraction study. Redox and spectral properties of the synthesized Ru(II) complexes were examined along with their corresponding ligands and compared with the classic homoleptic [Ru<sup>II</sup>(bpy)<sub>3</sub>](PF<sub>6</sub>)<sub>2</sub>. The effects on substituents in the ligand backbone were scrutinised. The emission behaviour of both [<b>1</b>](ClO<sub>4</sub>) and [<b>2</b>](ClO<sub>4</sub>)<sub>2</sub> revealed relatively long-lived emissive <sup>3</sup>MLCT and bathochromic shift (~ 715 nm) while compared with [Ru<sup>II</sup>(bpy)<sub>3</sub>](PF<sub>6</sub>)<sub>2</sub> (~ 605 nm). Fairly weak quantum yields for [<b>1</b>](ClO<sub>4</sub>) and [<b>2</b>](ClO<sub>4</sub>)<sub>2</sub> : ∼ 0.00299 and ∼ 0.00295 with half-lives 181.57 ns and 198.89 ns, respectively, suggested different non-radiative emission pathways. Additionally, for [<b>1</b>](ClO<sub>4</sub>) and [<b>2</b>](ClO<sub>4</sub>)<sub>2</sub>, electrochemical reduction of carbon dioxide (CO<sub>2</sub>) in dry acetonitrile solvent was performed and showed great promises for future designing of electrochemical reduction of CO<sub>2</sub>.</p><h3>Graphical abstract</h3><p>Two mononuclear heteroleptic Ru(II) photosensitizers [<b>1</b>](ClO<sub>4</sub>) and [<b>2</b>](ClO<sub>4</sub>)<sub>2</sub> containing 2-(1H-benzo[d]imidazol-2-yl)quinoline ligand were synthesized and investigated <i>via</i> FT–IR, <sup>1</sup>H NMR, ESI mass spectra, UV–vis, time-resolved photoluminescence spectroscopy, X-ray structure, etc. Both [<b>1</b>](ClO<sub>4</sub>) and [<b>2</b>](ClO<sub>4</sub>)<sub>2</sub> showed great promises for electrochemical reduction of carbon dioxide in dry acetonitrile.\u0000</p><figure><div><div><div><picture><source><img></source></picture></div></div></div></figure></div>","PeriodicalId":50242,"journal":{"name":"Journal of Chemical Sciences","volume":"134 3","pages":""},"PeriodicalIF":1.7,"publicationDate":"2022-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"4030575","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2022-06-27DOI: 10.1007/s12039-022-02073-x
Rashmi Sharma, Anil Kumar
A simple, efficacious, and regioselective synthesis of hitherto unreported benzotriazole-triazole conjugates via copper-catalyzed azide-alkyne cycloaddition (CuAAC) reaction between benzotriazole alkynes and aryl azides has been described. The structure of the synthesized molecules has been explicitly confirmed by spectroscopic analysis (1H NMR, 13C NMR, and mass spectroscopy).
Graphical abstract
This work describes a very simple, efficacious, and regioselective synthesis of hitherto unreported benzotriazole-triazole conjugates via copper-catalyzed azide-alkyne cycloaddition. The current protocol avoids the use of any reducing agent, which makes this protocol a better route for the synthesis of 1,4-disubstituted product.
{"title":"An expeditious and clean synthesis of novel benzotriazole-triazole conjugates via Copper-catalyzed Azide-Alkyne cycloaddition click protocol (CuAAC)","authors":"Rashmi Sharma, Anil Kumar","doi":"10.1007/s12039-022-02073-x","DOIUrl":"10.1007/s12039-022-02073-x","url":null,"abstract":"<div><p>A simple, efficacious, and regioselective synthesis of hitherto unreported benzotriazole-triazole conjugates <i>via</i> copper-catalyzed azide-alkyne cycloaddition (CuAAC) reaction between benzotriazole alkynes and aryl azides has been described. The structure of the synthesized molecules has been explicitly confirmed by spectroscopic analysis (<sup>1</sup>H NMR, <sup>13</sup>C NMR, and mass spectroscopy).</p><h3>Graphical abstract</h3><p>This work describes a very simple, efficacious, and regioselective synthesis of hitherto unreported benzotriazole-triazole conjugates <i>via</i> copper-catalyzed azide-alkyne cycloaddition. The current protocol avoids the use of any reducing agent, which makes this protocol a better route for the synthesis of 1,4-disubstituted product.</p>\u0000 <figure><div><div><div><picture><source><img></source></picture></div></div></div></figure>\u0000 </div>","PeriodicalId":50242,"journal":{"name":"Journal of Chemical Sciences","volume":"134 3","pages":""},"PeriodicalIF":1.7,"publicationDate":"2022-06-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"5047798","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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