Chemistry - An Asian Journal最新文献

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Antibacterial Lecithin/Chitosan Nanoparticles for the Sustained Release of Ciprofloxacin to Treat Ocular Bacterial Infections.
IF 3.5 3区 化学
Chemistry - An Asian Journal Pub Date : 2024-12-23 DOI: 10.1002/asia.202400933
Nahida Rasool, Yashika Thakur, Yashveer Singh
{"title":"Antibacterial Lecithin/Chitosan Nanoparticles for the Sustained Release of Ciprofloxacin to Treat Ocular Bacterial Infections.","authors":"Nahida Rasool, Yashika Thakur, Yashveer Singh","doi":"10.1002/asia.202400933","DOIUrl":"https://doi.org/10.1002/asia.202400933","url":null,"abstract":"<p><p>Ocular drug-delivery is one of the most challenging areas owing to nature of ocular tissues. Various nanoformulations have been designed and investigated for drug-delivery to achieve high drug bioavailability. The major focus of preparations available in market is to utilize nanomaterial as drug-carrier, with less focus on developing functional-nanomaterials, which is a key knowledge gap in the field. To address this, we developed a nanoparticulate system from bioactive-polymers having intrinsic antimicrobial and mucoadhesiveness loaded with ciprofloxacin (cipro) to treat bacterial ocular infections. Cipro-loaded lecithin/chitosan nanoparticles were prepared and characterized for their physiochemical properties. They exhibited good drug loading efficiency and showed sustained drug-release for 72 h, with slow release for  first 4 h followed by a burst release in phosphate buffered saline and simulated tear fluid. Cipro-loaded nanoparticles were assessed for their antibacterial potential against Staphylococcus aureus (96%) and Pseudomonas aeruginosa (72%) using optical density, disc-diffusion method, live-dead assay, and demonstrated promising antibacterial properties. The drug-loaded nanoparticles showed good cytocompatibility (~90%) towards murine fibroblasts and rabbit corneal cells. Being amphiphilic in nature, the nanoparticles exhibited mucoadhesiveness, haemocompatibility (<4%) and, thus, proving to be a promising candidate for treating ocular infections. This approach ensures efficient drug delivery and synergic/additive therapeutic effects.</p>","PeriodicalId":145,"journal":{"name":"Chemistry - An Asian Journal","volume":" ","pages":"e202400933"},"PeriodicalIF":3.5,"publicationDate":"2024-12-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142875944","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
"On Water" Cationic Ruthenium(II) Catalysed Direct Aryl C(sp2)-H Amidation of Biorelevant Heterocyclic Scaffolds.
IF 3.5 3区 化学
Chemistry - An Asian Journal Pub Date : 2024-12-23 DOI: 10.1002/asia.202401505
Bhavin V Pipaliya, Nirjhar Saha, Asit Kumar Chakraborti
{"title":"\"On Water\" Cationic Ruthenium(II) Catalysed Direct Aryl C(sp2)-H Amidation of Biorelevant Heterocyclic Scaffolds.","authors":"Bhavin V Pipaliya, Nirjhar Saha, Asit Kumar Chakraborti","doi":"10.1002/asia.202401505","DOIUrl":"https://doi.org/10.1002/asia.202401505","url":null,"abstract":"<p><p>Ru(II)-Catalyzed \"On Water\" direct aryl C(sp2)-H amidation of 2-arylbenzo[d]-thiazole/oxazole with acyl azide is reported under silver-free condition. Deuterium scrambling experiments suggested reversible C-H activation catalyzed by active cationic ruthenium species. The organic solvents such as DCE, DMF, DMSO, MeCN, dioxane, and PhMe were not conducive for the C-H amidation except for PhCl in which case, however, inferior yield (31%) was obtained. Water plays critical roles (i) during the formation of active cationic Ru-species, (ii) as proton scavenger during ligand-assisted C-H activation through hydrogen bond formation as evidenced by solvent kinetic isotope effect, and (iii) in the final protodissociation step. The mechanistic proposal resembles secondary coordination sphere hydrogen bond controlled transition metal catalysis showcasing the aryl C-H amidation through outer sphere nitrene insertion. The \"on water\" aryl C-H amidation protocol showed wide substrate scope with respect to the 2-arylbenzo[d]-thiazole/oxazole scaffold as well as the aryl moiety of the aroyl azide. While the applicability of the Ru(II)-catalysed \"on water\" C-H amidation protocol to 2-arylbenzo[d]-thiazole and 2-arylbenzo[d]-oxazole demonstrates its scope with respect to the directing group the effectiveness for sulfonamidation and phosphoramidation further broaden the synthetic scope.</p>","PeriodicalId":145,"journal":{"name":"Chemistry - An Asian Journal","volume":" ","pages":"e202401505"},"PeriodicalIF":3.5,"publicationDate":"2024-12-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142880715","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Mesoporous NiFe2O4@g-C3N4-based p-n Heterostructures for Boosting Solar-Driven Photocatalytic Dye Degradation and Hydrogen Evolution.
IF 3.5 3区 化学
Chemistry - An Asian Journal Pub Date : 2024-12-23 DOI: 10.1002/asia.202401402
Suma Das, Swapnomoy Pramanik, Ranjith G Nair, Avijit Chowdhury
{"title":"Mesoporous NiFe2O4@g-C3N4-based p-n Heterostructures for Boosting Solar-Driven Photocatalytic Dye Degradation and Hydrogen Evolution.","authors":"Suma Das, Swapnomoy Pramanik, Ranjith G Nair, Avijit Chowdhury","doi":"10.1002/asia.202401402","DOIUrl":"https://doi.org/10.1002/asia.202401402","url":null,"abstract":"<p><p>Mass-fraction-optimized heterojunction composites featuring precisely engineered interfaces and mesoporous structures are crucial for improving light absorption, minimizing electron-hole recombination, and boosting overall catalytic efficiency. Herein, highly efficient mesoporous-NiFe2O4@g-C3N4 heterojunctions were developed by embedding p-type NiFe2O4 nanoparticles (NPs) within n-type porous ultrathin g-C3N4 (p-uCN) nanosheets. The optimized NiFe2O4@g-C3N4, loaded with 20wt% magnetic counterparts, exhibits exceptional photocatalytic methylene blue degradation, achieving the highest performance in both photocatalytic and photo-Fenton processes with rate constants of 0.062 and 0.161 min⁻¹, respectively. These performance metrics are 1.3 and 2.55 fold higher than p-uCN (0.048 and 0.063 min⁻¹) and 51.6 and 17.4 fold higher than NiFO (0.0012 and 0.009 min⁻¹). Notably, mp-NiF@uCN-20% with 1.0 wt% of Pt loading achieves the highest H2 evolution rate of 2294 µmolg⁻¹h⁻¹, which is 3.72, 1.52, and 13.49 times higher than that of pure CN, p-uCN, and NiFO, respectively. The enhanced performance is corroborated by increased surface area, improved separation of charge carriers, and effective charge transfer, which enables simultaneous reduction and oxidation processes. Further, the magnetic nanocomposite exhibits remarkable stability even after multiple runs, indicating their reusability. The experimental findings emphasize the importance of p-n heterojunctions, interfacial band alignment, and mesoporous architecture in enhancing the photocatalytic efficiency of NiFe2O4@g-C3N4 nanocomposites.</p>","PeriodicalId":145,"journal":{"name":"Chemistry - An Asian Journal","volume":" ","pages":"e202401402"},"PeriodicalIF":3.5,"publicationDate":"2024-12-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142880838","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Employing mesoporous nitrogen containing carbon for simultaneous electrochemical detection of heavy metal ions.
IF 3.5 3区 化学
Chemistry - An Asian Journal Pub Date : 2024-12-23 DOI: 10.1002/asia.202401315
Naresh Bhatia, Daisy Mehta, Kalpana Garg, Sukhjot Kaur, Tharamani C Nagaiah
{"title":"Employing mesoporous nitrogen containing carbon for simultaneous electrochemical detection of heavy metal ions.","authors":"Naresh Bhatia, Daisy Mehta, Kalpana Garg, Sukhjot Kaur, Tharamani C Nagaiah","doi":"10.1002/asia.202401315","DOIUrl":"https://doi.org/10.1002/asia.202401315","url":null,"abstract":"<p><p>Heavy metal ions are major contributors to water pollution, posing significant threats to both ecological balance and human health due to their carcinogenic properties. The increasing need for heavy metal detection highlights the advantages of electrochemical methods, which offer high sensitivity and efficiency. Herein mesoporous nitrogen containing carbon (MNC) was utilized for the simultaneous determination of heavy metals using square wave voltammetry technique in the established conditions of a buffer pH of 5.0. MNC demonstrated low detection limits (1, 10 and 50 μM), wide linear ranges (1 μM - 6 mM, 10 μM - 7 mM and 50 μM - 17 mM), and high sensitivities (2.5 μA μM-1 cm-2, 1.03 μA μM-1 cm-2 and 5.14 mA mM-1 cm-2) for, Pb²⁺, Cd²⁺ and Cu²⁺, respectively. Moreover, the reproducibility, and selectivity of the sensor was investigated in the presence of K+, Mg2+, Zn2+, Ni2+, and Fe3+ which are the possible interferents present in water.</p>","PeriodicalId":145,"journal":{"name":"Chemistry - An Asian Journal","volume":" ","pages":"e202401315"},"PeriodicalIF":3.5,"publicationDate":"2024-12-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142880845","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Hydrothermally Constructed MoS2/ZnIn2S4 Heterostructure for Promotion of Photocatalytic H2 Evolution.
IF 3.5 3区 化学
Chemistry - An Asian Journal Pub Date : 2024-12-23 DOI: 10.1002/asia.202401418
Yu Yang Tang, Yang Fan Yu, Yang Zhang, Peng Fei Liu, Hua Gui Yang
{"title":"Hydrothermally Constructed MoS<sub>2</sub>/ZnIn<sub>2</sub>S<sub>4</sub> Heterostructure for Promotion of Photocatalytic H<sub>2</sub> Evolution.","authors":"Yu Yang Tang, Yang Fan Yu, Yang Zhang, Peng Fei Liu, Hua Gui Yang","doi":"10.1002/asia.202401418","DOIUrl":"10.1002/asia.202401418","url":null,"abstract":"<p><p>The integration of the second material with unique properties into original material to fabricate heterostructure represents an effective strategy to enhance photocatalytic H<sub>2</sub> evolution. Herein, we synthesized a MoS<sub>2</sub>/ZnIn<sub>2</sub>S<sub>4</sub> heterostructured photocatalyst using a two-step hydrothermal method. The resulting MoS<sub>2</sub>/ZnIn<sub>2</sub>S<sub>4</sub> displayed the flower-like morphology formed by staked nanosheets, significantly accelerating photocatalytic H<sub>2</sub> evolution performance. The optimal MoS<sub>2</sub>/ZnIn<sub>2</sub>S<sub>4</sub> (ZIS/Mo-50) achieved remarkable photocatalytic H<sub>2</sub> production rate of 20.5 mmol g<sup>-1</sup> h<sup>-1</sup>, which is 18.5 times higher than that of pristine ZnIn<sub>2</sub>S<sub>4</sub>. Further characterizations proved that the formation of the MoS<sub>2</sub>/ZnIn<sub>2</sub>S<sub>4</sub> heterostructure adjusted the energy band structure of ZnIn<sub>2</sub>S<sub>4</sub>, enhancing its light absorption capability. Additionally, the heterostructure facilitated efficient charge separation and transfer. These enhancements notably boosted the photocatalytic H<sub>2</sub> evolution, providing a promising example for designing efficient photocatalysts for H<sub>2</sub> evolution.</p>","PeriodicalId":145,"journal":{"name":"Chemistry - An Asian Journal","volume":" ","pages":"e202401418"},"PeriodicalIF":3.5,"publicationDate":"2024-12-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142880865","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Visible-Light-Driven CO₂ Reduction Using Imidazole-Based Metal-Organic Frameworks as Heterogeneous Photocatalysts.
IF 3.5 3区 化学
Chemistry - An Asian Journal Pub Date : 2024-12-23 DOI: 10.1002/asia.202401401
Asamanjoy Bhunia, Anupam Jana, Sinthia Saha, Suvendu Sekhar Mondal, Navjot Kaur
{"title":"Visible-Light-Driven CO₂ Reduction Using Imidazole-Based Metal-Organic Frameworks as Heterogeneous Photocatalysts.","authors":"Asamanjoy Bhunia, Anupam Jana, Sinthia Saha, Suvendu Sekhar Mondal, Navjot Kaur","doi":"10.1002/asia.202401401","DOIUrl":"https://doi.org/10.1002/asia.202401401","url":null,"abstract":"<p><p>The development of robust, efficient, and cost-effective heterogeneous photocatalysts for visible light-driven CO2 reduction continues to be a significant challenge in the quest for sustainable energy solutions. As a result, increasing attention is being directed towards the exploration of high-performance photocatalysts capable of converting CO2 into chemical feedstocks. Imidazolate Frameworks Potsdam (IFPs) can be a promising candidate for CO2 photoreduction due to their ease of synthesis, use of low-cost, earth-abundant metals, and high chemical and thermal stability. Herein, we report the  synthesis of Zn(II)- and Co(II)-based IFPs, specifically IFP-1(Zn) and IFP-5(Co), for photocatalytic CO2 reduction. Moreover, we demonstrate the enhanced photocatalytic activity of redox-innocent Zn-based IFP-1 by partially substituting Zn(II) with redox-active Co(II) in IFP-1(Zn), resulting in the formation of a bimetallic photocatalyst, IFP-1(Zn/Co). The  IFP-1(Zn/Co) exhibited significantly improved CO evolution (637 μmol g-1 in 1 hour), compared to the pristine IFP-1(Zn) (29 μmol g-1). Among all the prepared photocatalysts, IFP-5(Co) outperformed both the systems, achieving a CO evolution of 1174 μmol g-1 within 1 hour, due to the presence of catalytic cobalt sites. In addition, through the combination of photophysical and electrochemical studies, along with DFT calculations, we have proposed a plausible mechanism for the photocatalytic CO2 reduction.</p>","PeriodicalId":145,"journal":{"name":"Chemistry - An Asian Journal","volume":" ","pages":"e202401401"},"PeriodicalIF":3.5,"publicationDate":"2024-12-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142875552","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Facile Synthesis of Silsesquioxane-Based Hybrid Crosslinked Polymers via One-Step Amine-Ene Reaction for Efficient Adsorption of Various Pollutants.
IF 3.5 3区 化学
Chemistry - An Asian Journal Pub Date : 2024-12-23 DOI: 10.1002/asia.202401254
Shusen Li, Saddam Hussain, Hongzhi Liu
{"title":"Facile Synthesis of Silsesquioxane-Based Hybrid Crosslinked Polymers via One-Step Amine-Ene Reaction for Efficient Adsorption of Various Pollutants.","authors":"Shusen Li, Saddam Hussain, Hongzhi Liu","doi":"10.1002/asia.202401254","DOIUrl":"https://doi.org/10.1002/asia.202401254","url":null,"abstract":"<p><p>The rapid advancement of industrial production has led to an increase in water pollutants, posing a significant threat to public health. With the deepening of research on pollutant adsorbents. The application of silsesquioxane-based cross-linked polymer networks in water pollution treatment has gradually attracted people's attention. This study introduces two new crosslinked hybrid network, PCS-OB and PCS-OP, which were created through one-step amine-ene reaction between octa(aminophenyl) silsesquioxane (OAPS) and bismaleimide or N, N'-1,3-phenylenedimaleimide. The synthesized hybrid networks were characterized using Fourier-transform infrared spectroscopy (FTIR), scanning electron microscopy (SEM), Brunauer-Emmett-Teller (BET) surface area analysis, thermogravimetric analysis (TGA), and solid-state nuclear magnetic resonance (NMR) spectroscopy. The successful synthesis of the material is proved. PCS-OB and PCS-OP exhibited remarkable efficiency in the adsorption and removal of contaminants such as antibiotics, dyes, and iodine from wastewater. The maximum adsorbents for Rhodamine B (RhB), iodine vapor and berberine hydrochloride (BCH) were 1069 mg g-1, 1590 mg g-1 and 294mg g-1, respectively. In conclusion, this work proves that PCS-OB and PCS-OP have broad application prospects in pollutant treatment.</p>","PeriodicalId":145,"journal":{"name":"Chemistry - An Asian Journal","volume":" ","pages":"e202401254"},"PeriodicalIF":3.5,"publicationDate":"2024-12-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142875948","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Crystal-size-dependent Optical Properties of H-atoms on the Nodes of Ti-based Metal-organic Framework.
IF 3.5 3区 化学
Chemistry - An Asian Journal Pub Date : 2024-12-23 DOI: 10.1002/asia.202401055
Nazmiye Gökçe Altınçekiç, Matthew Alexander Achemire, Hyunho Noh
{"title":"Crystal-size-dependent Optical Properties of H-atoms on the Nodes of Ti-based Metal-organic Framework.","authors":"Nazmiye Gökçe Altınçekiç, Matthew Alexander Achemire, Hyunho Noh","doi":"10.1002/asia.202401055","DOIUrl":"10.1002/asia.202401055","url":null,"abstract":"<p><p>Proton-coupled electron transfer (PCET) reactions are fundamental to energy storage and conversion processes. By coupling electrons with protons, the net charge neutrality is retained, preventing electrode decomposition due to charge imbalance. PCET reactions with equimolar amounts of protons and electrons can be considered as a net H-atom transfer (HAT) reaction. Many redox-active metal-organic frameworks (MOFs) have demonstrated that the inorganic nodes and/or the organic linkers can be tailored to undergo HAT reactions. In particular, the Ti-oxo nodes of the MOF focused on this work, Ti-MIL-125, can accept up to two H-atoms. H-atom binding on the nodes of Ti-MIL-125 has long been known to correlate with the color change in the crystals from white to blue-black, but its exact optical properties, such as molar extinction coefficient (ϵ) and wavelength with maximum ϵ, λ<sub>max</sub>, have yet to be determined. The presented work determines these parameters using colloidally stable Ti-MIL-125 of three different crystallite sizes. These studies revealed that both parameters are highly dependent on the crystal size and are likely indicating a distortion of the Ti-oxo nodes at the crystal surface. Together, these highlight the importance of considering defects in understanding HAT reactions of otherwise structurally uniform and periodic MOFs.</p>","PeriodicalId":145,"journal":{"name":"Chemistry - An Asian Journal","volume":" ","pages":"e202401055"},"PeriodicalIF":3.5,"publicationDate":"2024-12-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142880798","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Tunning the wettability of the PVDF membrane using the PVA-stabilized TA-UiO-66-NH2 MOF membranes to separate layered oil-water mixture and surfactant-stabilized emulsion.
IF 3.5 3区 化学
Chemistry - An Asian Journal Pub Date : 2024-12-23 DOI: 10.1002/asia.202401430
Muhammad Fiaz, Sumayyah Khan, Nadeem Baig, Manzar Sohail
{"title":"Tunning the wettability of the PVDF membrane using the PVA-stabilized TA-UiO-66-NH2 MOF membranes to separate layered oil-water mixture and surfactant-stabilized emulsion.","authors":"Muhammad Fiaz, Sumayyah Khan, Nadeem Baig, Manzar Sohail","doi":"10.1002/asia.202401430","DOIUrl":"https://doi.org/10.1002/asia.202401430","url":null,"abstract":"<p><p>This study introduces a UiO-66-NH2/Tannic acid/Polyvinylidene fluoride (UTP) composite membrane for efficient oil-water separation. Pristine polyvinylidene fluoride (PVDF) membranes, due to their hydrophobic nature, tend to foul during oil-in-water emulsion separation. By incorporating the metal-organic framework (MOF) UiO-66-NH2 and stabilizing it with tannic acid (TA) and polyvinyl alcohol (PVA), the membrane's hydrophilicity and antifouling properties were significantly enhanced. The water contact angle of the UTP membrane decreased from 121° to 3°, indicating a dramatic increase in hydrophilicity, while the underwater oil contact angle (UWOCA) of 119° demonstrated excellent oleophobicity. The modified membrane achieved over 99% separation efficiency and improved flux by 15 times compared to the pristine PVDF. TA acted as a binder, ensuring uniform MOF dispersion and improving the composite's stability. The PVA further reinforced the structure, enhancing durability under operational conditions. Durability tests showed no significant MOF detachment after repeated use, confirming the stability of the UTP composite. The results highlight the potential of the UTP membrane for oil-water separation with superior permeability and fouling resistance.</p>","PeriodicalId":145,"journal":{"name":"Chemistry - An Asian Journal","volume":" ","pages":"e202401430"},"PeriodicalIF":3.5,"publicationDate":"2024-12-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142875547","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Effect of Transition Metal Variability in NNN-Pincer Complexes on Catalytic CO2 Reduction to Methanol.
IF 3.5 3区 化学
Chemistry - An Asian Journal Pub Date : 2024-12-23 DOI: 10.1002/asia.202401433
Saurabh Vinod Parmar, Vidya Avasare
{"title":"Effect of Transition Metal Variability in NNN-Pincer Complexes on Catalytic CO<sub>2</sub> Reduction to Methanol.","authors":"Saurabh Vinod Parmar, Vidya Avasare","doi":"10.1002/asia.202401433","DOIUrl":"10.1002/asia.202401433","url":null,"abstract":"<p><p>The catalytic efficiency of M-H<sub>2</sub>tpda pincer complexes (M=Mn(I), Fe(II), Co(III)) in CO<sub>2</sub> hydrogenation, emphasizing the role of transition metal variability have been discussed. The DFT analysis demonstrates that complexes with low αR values form weaker M-H bonds, enhancing catalyst reactivity with the elongation of M-H bond. The analysis further displays excellent catalytic performance for Mn-H<sub>2</sub>tpda (ΔE=20.3 kcal/mol), Fe-H<sub>2</sub>tpda (ΔE=21.0 kcal/mol) and Co-H<sub>2</sub>tpda (ΔE=23.6 kcal/mol) for CO<sub>2</sub> to formic acid formation. The Co-H<sub>2</sub>tpda (ΔE=16.7 kcal/mol) is comparatively better than Mn-H<sub>2</sub>tpda (ΔE=20.7 kcal/mol) and Fe-H<sub>2</sub>tpda (ΔE=19.6 kcal/mol) in formaldehyde formation. All three catalysts exhibit excellent catalytic performance in the conversion of formaldehyde to methanol. The condensed Fukui function calculations of these catalyst complexes establish direct relationship between the ΔE for the rate limiting catalytic cycle and the electrophilicity of the metal centers. The TOF calculations further helped to understand the catalytic performance of the catalysts at various temperatures.</p>","PeriodicalId":145,"journal":{"name":"Chemistry - An Asian Journal","volume":" ","pages":"e202401433"},"PeriodicalIF":3.5,"publicationDate":"2024-12-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142880834","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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