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Rational design of hierarchically porous sulfonic acid and silica hybrids with highly active sites for efficient catalytic biodiesel synthesis 合理设计具有高活性位点的分层多孔磺酸和二氧化硅杂化物,用于高效催化合成生物柴油
Pub Date : 2023-05-11 DOI: 10.1016/j.cinorg.2023.100005
Mehulkumar L. Savaliya , Ravi S. Tank , Bharatkumar Z. Dholakiya

Catalysis is the vertebra of most of commercial processes, which utilizes chemical reactions to transform reagents into value added chemicals. Biodiesel synthesis from animal fats and edible vegetable oils via transesterification over homogeneous catalysts is recently taken into account of untenable by the emerging biofuel industries, particularly by virtue of food vs. fuel counteraction, economic and environmental challenges blended with the feedstocks as well as catalytic systems, respectively. Therefore, present efforts concern with the preparation of a novel PTSA-Si catalyst and its relevance for biodiesel synthesis from non-food castor oil. It has been manifested from the experimental outcomes, the most relevant reaction parameters are, 5% PTSA-Si (w/w), 65 ​°C reaction temperature, 1:11 O:M molar ratio and 10 ​h reaction time for 98.56% biodiesel yield. The PTSA-Si was appropriately analyzed using FT-IR, SEM, XRD, BET, TGA-DTA and TPD-NH3 analysis. Since, castor oil and castor biodiesel were analyzed using FT-IR, 1H &13C NMR analysis. Besides, biodiesel physico-chemical properties were predicted and associated with ASTM fuel standards.

催化是大多数商业过程的支柱,它利用化学反应将试剂转化为增值化学品。最近,新兴的生物燃料行业考虑到,由动物脂肪和食用植物油在均相催化剂上通过酯交换合成生物柴油是不可行的,特别是由于食品与燃料的对抗、与原料混合的经济和环境挑战以及催化系统。因此,目前的工作涉及一种新型PTSA-Si催化剂的制备及其在非食用蓖麻油合成生物柴油中的应用。实验结果表明,最相关的反应参数为,5%PTSA-Si(w/w),65​°C反应温度,1:11 O:M摩尔比和10​h反应时间,生物柴油收率为98.56%。使用FT-IR、SEM、XRD、BET、TGA-DTA和TPD-NH3分析适当地分析PTSA-Si。由于蓖麻油和蓖麻生物柴油使用FT-IR、1H&;13C NMR分析。此外,还预测了生物柴油的物理化学性质,并将其与ASTM燃料标准相关联。
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引用次数: 1
Layered double hydroxides derived CuFe-based catalysts for CO2 hydrogenation to long-chain hydrocarbons 层状双氢氧化物衍生的cufe基催化剂用于CO2加氢成长链烃
Pub Date : 2023-05-09 DOI: 10.1016/j.cinorg.2023.100004
Ju Huang, Zhiyuan Zhang, Yuxue Wei, Lisheng Guo, Jiuyi Liu, Chenghua Zhang, Zhaoming Xue, Song Sun

CO2 hydrogenation to yield long-chain hydrocarbons has attracted tremendous attention in both academic and industrial field. CuFe-based bimetal catalysts have been widely applied in CO2 hydrogenation owing to their low cost, facile preparation, and excellent performance. In this study, a series of CuFe-based catalysts with different Cu/Fe molar ratios have been synthesized from layered double hydroxide precursor. The optimized CuFe8-LDO catalyst with Cu:Fe=1:8 exhibits a C5+ selectivity of 45% at CO2 conversion of 9.5%. Through systematic characterizations including TEM, TPR, TPD, XPS, it is revealed the abundant and highly dispersed CuO favors the reduction of iron species, and enhances CO adsorption capacity of as-prepared catalysts. This study provides an in-deep understanding of Cu on CO2 hydrogenation performance of Fe-based catalysts.

CO2加氢制备长链烃在学术界和工业界都引起了极大的关注。CuFe基双金属催化剂以其成本低、制备简单、性能优异等优点,在CO2加氢反应中得到了广泛的应用。本研究以层状双氢氧化物前驱体为原料,合成了一系列不同Cu/Fe摩尔比的CuFe基催化剂。优化后的CuFe8 LDO催化剂Cu:Fe=1:8,在CO2转化率为9.5%时,C5+选择性为45%。通过TEM、TPR、TPD、XPS等系统表征,发现丰富且高度分散的CuO有利于还原铁物种,提高了催化剂对CO的吸附能力。本研究提供了对铜对铁基催化剂CO2加氢性能的深入了解。
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引用次数: 0
Ru(II) complexes containing NOO donors of tridentate Schiff base ligands: Synthesis, characterization, crystal structure and catalytic activity in transfer hydrogenation of ketones 含三齿席夫碱配体NOO供体的Ru(II)配合物的合成、表征、晶体结构和酮转移加氢催化活性
Pub Date : 2023-03-30 DOI: 10.1016/j.cinorg.2023.100003
Premkumar Muniyappan , Vijayan Paranthaman , Venkatachalam Galmari

A new series of pincer type ruthenium(II) Schiff base complexes namely [Ru(CO)(PPh3)2(L1‒6)] (1–6) (where, L1‒6 ​= ​NOO ‒ donors of tri-dentate ligands) have been synthesized from ruthenium precursor such as [RuHCl(CO)(PPh3)3] containing tri-dentate Schiff bases ligands (H2L1‒H2L6). These ruthenium complexes were analyzed by elemental analysis and diverse characterizations such as FT‒IR, UV–Vis and NMR (1H and 31P) spectroscopy studies. The crystal structure of one of the complexes 5 ([Ru(CO)(PPh3)2L5]) was determined by single crystal X‒ray crystallography that revealed pincer type of coordination mode of complexes. Furthermore, complexes 16 have been utilized for transfer hydrogenation of aromatic ketones to secondary alcohols in the presence of i‒PrOH/KOH. The catalytic efficiency of complexes showed an efficient for transfer hydrogenation of ketones with alcohol as moderate to high conversions.

一系列新的钳型钌(II)席夫碱配合物,即[Ru(CO)(PPh3)2(L1-6)](1-6)(其中,L1-6​=​三齿配体的NOO-供体)是由钌前体如含有三齿希夫碱配体(H2L1-H2L6)的[RuHCl(CO)(PPh3)3]合成的。通过元素分析和各种表征,如FT-IR、UV-Vis和NMR(1H和31P)光谱研究,对这些钌配合物进行了分析。配合物5([Ru(CO)(PPh3)2L5])的晶体结构通过单晶X射线晶体学测定,揭示了配合物的钳型配位模式。此外,配合物1-6已被用于在i-PrOH/KOH存在下将芳香酮转移氢化为仲醇。配合物的催化效率表明,酮与醇的转移加氢反应具有中高转化率。
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引用次数: 0
Bandgap tuning and analysis of the electronic structure of the Cu2NiXS4 (X=Sn, Ge, Si) system: mBJ accuracy with DFT expense Cu2NiXS4 (X=Sn, Ge, Si)体系带隙调谐与电子结构分析:mBJ精度与DFT费用
Pub Date : 2023-03-17 DOI: 10.1016/j.cinorg.2023.100001
Dilshod Nematov

The energy bands and band gaps of Cu2NiXS4 (X ​= ​Sn, Ge, Si) semiconductor materials have been studied and analyzed by using quantum-chemical calculations within the DFT framework. Using different exchange-correlation functionals, the energy gaps of the studied systems were estimated and determined, and their band structure were studied in detail. Based on the results of spin-polarized and spin-orbit mBJ-calculations, bands of t2g states and direct band gaps with values of 1.32, 1.56, and 2.58 ​ eV, were found for Cu2NiSnS4, Cu2NiGeS4, and Cu2NiSiS4, respectively, indicating the suitability of these materials as a suitable light-absorbing layer for a new generation solar cells.

Cu2NiXS4(X)的能带和带隙​=​Sn,Ge,Si)半导体材料的量子化学计算已经在DFT框架内进行了研究和分析。利用不同的交换相关泛函,估计和确定了所研究系统的能隙,并详细研究了它们的能带结构。基于自旋极化和自旋轨道mBJ计算的结果,t2g态的能带和值为1.32、1.56和2.58的直接带隙​ 对于Cu2NiSnS4、Cu2NiGeS4和Cu2NiSiS4,分别发现了eV,表明这些材料适合作为新一代太阳能电池的合适光吸收层。
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引用次数: 0
Comparative study of TiO2 and palladium doped TiO2 nano catalysts for water purification under solar and ultraviolet irradiation TiO2和钯掺杂TiO2纳米催化剂在太阳和紫外线照射下净化水的比较研究
Pub Date : 2023-03-17 DOI: 10.1016/j.cinorg.2023.100002
G.O. Obaiah , Kemparajegowda , J. Gireesha , M. Mylarappa

The photo degradation of Congo red (CR) with TiO2 and TiO2 doped with Pd was investigated. The TiO2 and Pd doped TiO2 nanoparticles were created through solution combustion with glycine as the fuel, and their band gap was determined using UV absorption spectroscopy. All experiments were conducted in natural Sunlight and UV light. Both nanoparticles degraded rapidly at 20 ​ppm dye concentration and 0.1 ​g/1000 ​ml catalyst concentration. It demonstrates that synthesized TiO2 and Pd doped TiO2 nanoparticles can degrade Congo red in an aqueous solution.

研究了TiO2和掺杂Pd的TiO2对刚果红(CR)的光降解。以甘氨酸为燃料,通过溶液燃烧制备了TiO2和Pd掺杂的TiO2纳米颗粒,并使用紫外吸收光谱测定了它们的带隙。所有实验都是在自然阳光和紫外线下进行的。两种纳米颗粒在20​ppm染料浓度和0.1​g/1000​ml催化剂浓度。结果表明,合成的TiO2和Pd掺杂的TiO2纳米颗粒可以在水溶液中降解刚果红。
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引用次数: 0
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Chemistry of Inorganic Materials
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