Journal of Chemical Sciences最新文献_第3页

L-Proline assisted expeditious and efficient methodology for the preparation of 2-amino-3-cyanopyridines under aqueous conditions l -脯氨酸辅助制备2-氨基-3-氰吡啶的快速高效方法

IF 1.7 4区化学 Q3 Chemistry

Journal of Chemical Sciences

Pub Date : 2023-06-24 DOI: 10.1007/s12039-023-02189-8

Priyanka K Bhadke, Yatin U Gadkari, Simren S Salim, Liklesha B Masram, Vikas N Telvekar

Here, the use of L-proline as a catalyst is a quick and efficient reaction profile for the one-pot synthesis of a number of 2-amino-3-cyanopyridine derivatives from malononitrile, aromatic aldehyde, acetophenone, and ammonium acetate at 60 °C, utilizing water as a solvent produces final products with a good yield are disclosed. This process has the advantages of a quick routine, large yields, environment-friendly, broad substrate scope tolerance, catalyst recyclability, simple workup processes, etc.

Graphical abstract

SYNOPSIS A rapid and clean reaction profile for the one-pot synthesis of a series of 2-amino-3-cyanopyridine derivatives using an L-proline catalyst has been disclosed here. The multicomponent reaction of aldehyde, malononitrile, ketone, and ammonium acetate using water as a solvent at 60 °C gives final products in good yield. The current protocol has several advantages, such as broad substrate scope tolerance, shorter reaction times, environmentally benign approach, catalyst recyclability, simple and easy workup procedures, etc. Further, the catalyst was recycled (up to 4 cycles) without compromising the yield of the final products.

本研究公开了以l -脯氨酸为催化剂，以丙二腈、芳醛、苯乙酮和乙酸铵为原料，在60℃条件下，以水为溶剂，一锅法合成多种2-氨基-3-氰吡啶衍生物的快速高效反应方式。该工艺具有流程快、产率大、环境友好、底物范围广、催化剂可循环利用、后处理过程简单等优点。图摘要:本文公开了l -脯氨酸催化剂一锅法快速、干净地合成一系列2-氨基-3-氰吡啶衍生物的反应过程。醛、丙二腈、酮和乙酸铵在60℃下以水为溶剂进行多组分反应，产率高。目前的方案有几个优点，如底物范围宽，反应时间短，环境友好的方法，催化剂的可回收性，简单和容易的后处理程序等。此外，催化剂可循环使用(多达4次循环)，而不会影响最终产品的收率。

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引用次数: 0

Thiazolamide derivatives containing diphenyl ethers moiety: design, synthesis, fungicidal activity and docking study 含二苯醚部分的噻唑胺衍生物:设计、合成、杀真菌活性及对接研究

IF 1.7 4区化学 Q3 Chemistry

Journal of Chemical Sciences

Pub Date : 2023-06-24 DOI: 10.1007/s12039-023-02184-z

Zhongzhong Yan, Yusheng Gao, Ziyu Yang, Bolin Yu, Di Zhao, Yuefeng Li, Lei Cao, Mengyao Qin, Mengmeng Li, Feng Jin

Some thiazolamide derivatives containing diphenyl ether moiety were designed, synthesized, and studied for their antifungal activity and cell cytotoxicity. Of these, several compounds II possessed excellent activity against Rhizoctonia solani, which was better than that of boscalid and comparable to thifluzamide. Besides, the cytotoxicity test showed that the optimal compound IIf had lower cytotoxicity than thifluzamide in general. Further, molecular docking could give a reasonable explanation for the high activity of the target compounds. The above results indicated that thiazolamide derivatives containing diphenyl ether moiety are valuable for in-depth study to obtain high-efficiency and low-toxicity green pesticides.

Graphical abstract

A series of new thiazolamide derivatives containing diphenyl ether moiety were designed and synthesized. The biological evaluation indicated optimal compound IIf displayed not only high fungicidal activity but also lower cytotoxicity. Besides, molecular docking gave a reasonable explanation for the high activity of the target compounds.

设计、合成了几种含二苯基醚的噻唑胺衍生物，并对其抗真菌活性和细胞毒性进行了研究。其中，有几个化合物ⅱ对茄枯丝核菌具有较好的抑制作用，其抑制作用优于boscalid，与硫氟唑胺相当。此外，细胞毒性试验表明，最佳化合物IIf的细胞毒性总体上低于氟唑胺。此外，分子对接可以合理解释目标化合物的高活性。上述结果表明，含二苯醚部分的噻唑胺衍生物具有深入研究高效低毒绿色农药的价值。设计并合成了一系列新的含二苯基醚的噻唑胺衍生物。生物学评价表明，最佳化合物IIf不仅具有较高的杀真菌活性，而且具有较低的细胞毒性。此外，分子对接也为靶化合物的高活性提供了合理的解释。

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引用次数: 0

Synthesis, X-ray structural characterization, and electrochemical investigations on a semiconducting Ni(II) dithiolate with tris(1,10-phenanthroline)nickel(II) as counter-cation 以三(1,10-菲罗啉)镍(II)为反阳离子的半导体镍(II)二硫代酸盐的合成、x射线结构表征和电化学研究

IF 1.7 4区化学 Q3 Chemistry

Journal of Chemical Sciences

Pub Date : 2023-06-24 DOI: 10.1007/s12039-023-02179-w

Arghya Dutta, Abhinandan Mahanta, Subhra Jyoti Panda, Soumya Biswas, Vinayak B Kamble, Chandra Shekhar Purohit, SK Jasimuddin, Rajarshi Ghosh

An ion-pair complex [Ni(o-phen)₃][Ni(L)₂]₂.CH₂Cl₂ (1) [L = 1,2-diphenylethylene-1,2-dithiolate, o-phen = 1,10-phenanthroline] has been synthesized and X-ray crystallographically characterized. The solution structure of 1, as derived from cyclic voltammetry, conforms well to the solid-state molecular structure. The redox peaks obtained from the electrochemical analysis of 1 are to some extent a combination of the peaks obtained individually for [Ni(o-phen)₃]²⁺ and [Ni(L)₂]. Moreover, the reaction protocol for the synthesis of the title complex by the addition of o-phen to [Ni(L)₂] is analyzed electrochemically. 1 conducts electricity in solid-state. The electrical conductivity varied on varying temperatures from 308 K (35 °C) to 423 K (150 °C). The compound is found to be thermally unstable after 150 °C.

Graphical abstract

An ion-pair complex [Ni(o-phen)₃][Ni(L)₂]₂.CH₂Cl₂ (1) [L = 1,2-diphenylethylene-1,2-dithiolate] has been synthesized and characterized by X-ray crystallography. On electrochemical characterization in solution, the redox peaks (reduction) obtained from the cyclic voltammetry of 1 are found to be a combination of the peaks obtained individually for [Ni(o-phen)₃]²⁺ and [Ni(L)₂]. 1 also conducts electricity in a solid state like a semiconducting material.

离子对配合物[Ni(o-phen)3][Ni(L)2]2。合成了CH2Cl2 (1) [L = 1,2-二苯基乙烯-1,2-二硫代酸酯，o-phen = 1,10-菲罗啉]并对其进行了x射线晶体学表征。由循环伏安法得到的溶液结构1与固态分子结构非常吻合。电化学分析得到的氧化还原峰在一定程度上是[Ni(o-phen)3]2+和[Ni(L)2]各自得到的氧化还原峰的组合。此外，本文还分析了o-phen在[Ni(L)2]上加成合成标题配合物的反应方案。1以固态形式导电。电导率在308 K(35°C)到423 K(150°C)的温度范围内变化。发现该化合物在150°C后热不稳定。图示:离子对配合物[Ni(o-phen)3][Ni(L)2]2。合成了CH2Cl2 (1) [L = 1,2-二苯乙烯-1,2-二硫酯]，并用x射线晶体学对其进行了表征。在溶液中的电化学表征中，1的循环伏安法得到的氧化还原峰(还原)是[Ni(o-phen)3]2+和[Ni(L)2]单独得到的峰的组合。它还能像半导体材料一样以固态导电。

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引用次数: 0

Computational study of NO + CO reaction on Pd(111) surface: effect of lattice sites on the adsorption and reactivity Pd(111)表面NO + CO反应的计算研究:晶格位置对吸附和反应性的影响

IF 1.7 4区化学 Q3 Chemistry

Journal of Chemical Sciences

Pub Date : 2023-06-24 DOI: 10.1007/s12039-023-02178-x

Nayanthara K. Jayadev, Sudipta Roy, Ashwani K Tiwari

The NO + CO reaction is considered a prototype reaction that portrays the abatement of NOx, the primary pollutant from automobile exhausts, catalyzed by metals like Pd, Pt, and Rh. The detailed mechanism of this reaction on the Pd(111) surface was devised by taking into account all probable elementary reactions with the aid of density functional theory calculations. The reaction steps under consideration include NO dissociation, N₂ formation from N-N recombination, CO₂ formation, N₂O formation, and N₂O dissociation, respectively. The adsorption energies, reaction energies, and activation energy barriers were calculated for all the elementary steps of the reaction. Depending on the lattice site, over which the intermediates of the elementary steps get adsorbed, adsorption energies vary significantly. Both N-N recombination and N₂O decomposition were identified as the reaction pathways for N₂ formation. The NO dissociation step could be regarded as the rate-determining step, bearing the highest activation energy barrier among all the elementary reactions. The reactivity of this step has been shown to increase with an increase in the surface temperature. It was also observed that N₂ formation from N-N recombination controls the overall reaction rate to a certain extent. The influence of different Pd facets on NO dissociation was scrutinized, and it was found that (100) facet exhibits a lower activation energy barrier than (111) metal surface. The higher activity of (100) surface was explained with the help of the density of states plots.

Graphical abstract

The model reaction NO + CO has been studied in detail on Pd (111) surface to understand Three Way Catalytic (TWC) converters. NO dissociation step was found to be the RDS. The surface temperature has been shown to affect the reactivity of the RDS. Pd(100) could be used for better performance.

NO + CO反应被认为是一个原型反应，描绘了减少氮氧化物(来自汽车尾气的主要污染物)，由钯、铂和铑等金属催化。在密度泛函理论计算的帮助下，考虑了所有可能的基本反应，设计了Pd(111)表面上该反应的详细机理。考虑的反应步骤分别为NO解离、N-N重组生成N2、CO2生成、N2O生成和N2O解离。计算了反应各基本步骤的吸附能、反应能和活化能势垒。根据基本步骤中间产物被吸附的晶格位置的不同，吸附能变化很大。N-N重组和N2O分解都是N2生成的反应途径。在所有的元素反应中，NO的解离反应具有最高的活化能势垒，是反应的速率决定步骤。这一步骤的反应活性随着表面温度的升高而增加。N-N重组生成N2在一定程度上控制了总反应速率。研究了不同Pd面对NO解离的影响，发现(100)面比(111)金属表面具有更低的活化能垒。用态密度图解释了(100)表面活性较高的原因。为了更好地理解三元催化(TWC)转化器，对Pd(111)表面NO + CO的模型反应进行了详细的研究。没有发现解离步骤是RDS。表面温度对RDS的反应性有影响。使用Pd(100)可以获得更好的性能。

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引用次数: 0

Iron-promoted environmentally benign construction of 2-iodo aroylguanidines and 2-iodo aroyltetrazoles 铁促进2-碘芳基胍和2-碘芳基四唑的环保构建

IF 1.7 4区化学 Q3 Chemistry

Journal of Chemical Sciences

Pub Date : 2023-06-24 DOI: 10.1007/s12039-023-02188-9

Ratna Babu Gunturu, Prasanna Babu Racheeti, Srinivasa Rao Pinapati, Anitha Kowthalam, Ramana Tamminana, Rameshraju Rudraraju

An efficient approach to access 2-iodo aroylguanidines and 2-iodo aroyltetrazoles starting from readily accessible thioureas has been established. Furthermore, desulphurisation process has been identified by Iron catalysis at 50 °C. This is the first example of the synthesis of 2-iodo aroylguanidines and 2-iodo aroyltetrazoles involving Iron catalysis in the presence of a green solvent. Hence, the reaction is in line with the requirements of green chemistry by virtue of mild conditions, environmentally benign, short reaction time, and good selectivity.

Graphical abstract

We have demonstrated the multifaceted of a homogeneous Fe₂(SO₄)₃. H₂O/DMF system for constructing 2-iodo aroylguanidines and 2-iodo aroyltetrazoles starting in one pot via oxidative desulfurization approach from easy-to-prepare starting materials. Because of rapid access to highly substituted N-containing heterocycles by these approaches and the occurrence of these heterocycles in natural products and active pharmaceutical ingredients, we hope these one-pot methods will hold great potential.

建立了一种从易于获得的硫脲开始获得2-碘芳基胍和2-碘芳基四唑的有效方法。此外，在50°C条件下，用铁催化确定了脱硫过程。这是在绿色溶剂存在下，用铁催化合成2-碘芳基胍和2-碘芳基四唑的第一个例子。因此，该反应条件温和、环境友好、反应时间短、选择性好，符合绿色化学的要求。图解摘要我们展示了均匀Fe2(SO4)3的多面性。H2O/DMF体系以易于制备的原料为原料，采用氧化脱硫法在一锅内构建2-碘芳基胍和2-碘芳基四唑。由于这些方法可以快速获得高取代的含n杂环，并且这些杂环存在于天然产物和活性药物成分中，我们希望这些一锅法具有很大的潜力。

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引用次数: 0

A novel and convenient approach toward the synthesis of Rizatriptan 一种合成利扎曲坦的新方法

IF 1.7 4区化学 Q3 Chemistry

Journal of Chemical Sciences

Pub Date : 2023-06-24 DOI: 10.1007/s12039-023-02180-3

Pankaj R Chaudhari, Nandu B Bhise, Girij P Singh, Varadaraj Bhat, Gautham G Shenoy, Rohidas Sulake

Given article describes the synthesis of 5-HT1 agonist rizatriptan via the construction of an indole ring on 3-Methyl-4-nitrobenzoic acid methyl ester by Leimgruber-Batcho reaction. The indole intermediate obtained is then further converted to rizatriptan, a triptan-class compound. Using simple, facile and an efficient methodology, rizatriptan was prepared.

Graphical abstract

The construction of the indole ring was carried out on 3-methyl-4-nitrobenzoic acid methyl ester. The indole intermediate obtained was then treated with Oxalyl chloride to get an oxoacetyl indole carboxylate intermediate. The Intermediate obtained was then further converted to rizatriptan.

本文介绍了通过Leimgruber-Batcho反应在3-甲基-4-硝基苯甲酸甲酯上构建吲哚环合成5-HT1激动剂利扎曲坦的方法。然后，所得到的吲哚中间体进一步转化为曲曲坦类化合物——利扎曲坦。采用简单、简便、高效的方法制备了利扎曲坦。图摘要在3-甲基-4-硝基苯甲酸甲酯上进行了吲哚环的构造。得到的吲哚中间体用草酰氯处理得到氧乙酰基吲哚羧酸中间体。获得的中间体再进一步转化为利扎曲坦。

引用次数: 0

Synthesis of acid-base bi-functionalized multiwalled carbon nanotube using supercritical carbon dioxide 超临界二氧化碳合成酸碱双官能化多壁碳纳米管

IF 1.7 4区化学 Q3 Chemistry

Journal of Chemical Sciences

Pub Date : 2023-06-23 DOI: 10.1007/s12039-023-02182-1

Maria Cristina Macawile, Joseph Auresenia

A novel approach to surface modification of carbon-based nanomaterials using supercritical fluid was used in the synthesis of an acid-base bi-functionalized multiwalled carbon nanotubes (MWCNT). The oxidized thiol and amine groups were incorporated in series using supercritical CO₂ at T=55 °C, P=9MPa, and t=1h. Successful functionalization was confirmed using Thermogravimetric analysis (TGA), Fourier transform infrared (FTIR), Field emission scanning electron microscopy–energy dispersive x-ray (FESEM-EDX), Time-of-flight secondary ion mass spectrometry (TOF-SIMS), X-ray powder diffraction (XRD), and Brunauer–Emmett-Teller (BET). ScCO₂ functionalization was used to produce a bifunctional carbon-based material that maintained its structural integrity even after the addition of two incompatible functional groups on MWCNT.

Graphical abstract

The use of supercritical CO₂ results in the synthesis of an acid-base bifunctionalized MWCNT. To graft the sulfonic and amine functional groups on MWCNT, 3-mercaptopropyltrimethoxysilane oxidized with H₂O₂ and 3-aminopropyltrimethoxysilane were utilized. This green surface modification method can replace any of the time-consuming, tedious, and solvent-waste-producing steps of conventional mixing.

采用超临界流体对碳基纳米材料进行表面改性，制备了酸碱双功能化多壁碳纳米管(MWCNT)。将氧化后的巯基和胺基在55℃，9MPa, 1h的超临界CO2条件下串联。通过热重分析(TGA)、傅里叶变换红外(FTIR)、场发射扫描电子显微镜-能量色散x射线(FESEM-EDX)、飞行时间二次离子质谱(TOF-SIMS)、x射线粉末衍射(XRD)和brunauer - emmet - teller (BET)等方法证实了功能化的成功。利用ScCO2功能化制备了一种双功能碳基材料，即使在MWCNT上添加了两个不相容的官能团，也能保持其结构完整性。图示:利用超临界CO2合成了酸碱双官能化MWCNT。利用H2O2氧化的3-巯基丙基三甲氧基硅烷和3-氨基丙基三甲氧基硅烷在MWCNT上接枝磺酸基和胺基官能团。这种绿色表面改性方法可以取代任何耗时、繁琐、产生溶剂废物的传统混合步骤。

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引用次数: 0

Synthesis of coumarin-linked naphthoquinone fused pyrrole derivatives by HFIP-mediated multicomponent reaction hfip介导多组分反应合成香豆素连接萘醌融合吡咯衍生物

IF 1.7 4区化学 Q3 Chemistry

Journal of Chemical Sciences

Pub Date : 2023-06-23 DOI: 10.1007/s12039-023-02185-y

Ujjain Chaurasia, Tasneem Parvin

A straightforward and effective method for synthesizing coumarin-linked pyrrole derivatives fused with naphthoquinone has been reported by the one-pot reaction of aryl glyoxal, 4-hydroxycoumarin and 2-amino-1,4-naphthoquinone in hexafluoroisopropanol (HFIP) under reflux conditions. The main features of this methodology are simple reaction conditions, no use of metal or additional catalyst, less reaction time, use of recrystallization technique for purification, avoid of column chromatography, good yields of the products, creation of three new bonds (2 C-C and 1 C-N) in one-pot and occurrence of three biologically import moieties namely pyrrole, naphthoquinone and coumarin in the product. Spectroscopic techniques such as FTIR, ¹H NMR, ¹³C NMR, and HRMS were used to characterize all of our synthesized products. To further confirm the structure of the product, single crystal XRD of one compound was recorded.

Graphical Abstract

A convenient and step-economical methodology has been described for the synthesis of coumarin-linked pyrrole derivatives fused with naphthoquinone from readily available starting materials such as aryl glyoxal, 4-hydroxycoumarin and 2-amino1,4-naphthoquinone by HFIP mediated multicomponent reaction.

报道了在回流条件下，芳基乙二醛、4-羟基香豆素和2-氨基-1,4-萘醌在六氟异丙醇(HFIP)中一锅反应合成香豆素-吡咯衍生物与萘醌融合的简单有效方法。该方法的主要特点是反应条件简单，不使用金属或附加催化剂，反应时间短，采用重结晶技术纯化，避免柱层析，产物收率高，一锅中生成3个新键(2 C-C和1 C-N)，产物中含有吡咯、萘醌和香豆素3个重要的生物成分。光谱技术，如FTIR, 1H NMR, 13C NMR和HRMS被用来表征我们所有的合成产品。为了进一步确定产物的结构，对其中一种化合物进行了单晶XRD分析。摘要以芳基乙二醛、4-羟基香豆素和2-氨基1,4-萘醌为原料，采用HFIP介导的多组分反应，制备了香豆素-吡咯-萘醌衍生物。

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引用次数: 0

Sequential bond energy, binding energy, and structures of ({mathrm{bf Be}}^{+}cdot {left({mathrm{bf H}}_{2}right)}_{1-3}) complexes 顺序键能，结合能和({mathrm{bf Be}}^{+}cdot {left({mathrm{bf H}}_{2}right)}_{1-3})配合物的结构

IF 1.7 4区化学 Q3 Chemistry

Journal of Chemical Sciences

Pub Date : 2023-06-20 DOI: 10.1007/s12039-023-02186-x

Jamal N Dawoud

The binding energy and structures of the Be cations with H₂ molecules are studied theoretically at the MP2/aug-cc-pVTZ method level. The structures of the ({Be}^{+}cdot {left({H}_{2}right)}_{1-3}) complexes are determined. A tee and a vee-shaped structure are obtained for mono- and di-ligated complexes. Trigonal prism geometry is discovered in the tri-ligated complex. The sequential bond energies of the ({Be}^{+}cdot {left({H}_{2}right)}_{1-3}) complexes are also examined. The variation in the trend in sequential bond dissociation energies that have been observed may be due to variations in the electrostatic interaction energies, electronic charge transfer, and repulsive forces between the H₂ ligands in these complexes.

Graphical abstract

The figure represents the potential energy surface (PES) of the interaction between the Be⁺ ion and hydrogen molecule, H₂, atdifferent polar angle, θ.. Our results show that the Be⁺,H₂ complex exhibits a T configuration in which the cation is verticallydirected a long the mid bond length of H₂ molecule. The PES diagram has a potential well depth at around - 6.0 kcal/mol.

在MP2/aug-cc-pVTZ方法上对Be阳离子与H2分子的结合能和结构进行了理论研究。确定了({Be}^{+}cdot {left({H}_{2}right)}_{1-3})配合物的结构。对于单配位和双配位的配合物，得到了三通和三通的结构。在三连接络合物中发现了三角棱镜几何。同时还研究了({Be}^{+}cdot {left({H}_{2}right)}_{1-3})配合物的顺序键能。所观察到的顺序键解离能趋势的变化可能是由于这些配合物中H2配体之间的静电相互作用能、电子电荷转移和排斥力的变化。图示:该图表示Be+离子与氢分子H2在不同极性角θ..下相互作用的势能面(PES)。结果表明，Be+，H2配合物呈T型构型，其中阳离子垂直指向较长的H2分子中键长。PES图的潜在井深约为- 6.0 kcal/mol。

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引用次数: 0

A lanthanide cluster formed by fixing atmospheric CO2 to carbonate: a molecular magnetic refrigerant and photoluminescent material 将大气中的二氧化碳固定在碳酸盐上形成的镧系元素团簇:一种分子磁性制冷剂和光致发光材料

IF 1.7 4区化学 Q3 Chemistry

Journal of Chemical Sciences

Pub Date : 2023-06-20 DOI: 10.1007/s12039-023-02176-z

Jayanta Kr. Nath, Ritupan Borah

A lanthanide carboxylates cluster derived from 1,8-naphthalene dicarboxylate (NDC= 1,8 naphthalene dicarboxylate) and 1,10-phenanthroline (Phen) has been synthesized. The cluster of Sm(III) has been utilized for luminescence and magnetic refrigeration properties. Most interestingly, the auto immobilization of atmospheric carbon dioxide forms carbonate ion which acts as a bridging ligand and is positioned at the middle of the cluster. This cluster is characterized by different spectroscopic tools like FT-IR, photoluminescence spectrum, and the molecular structure [Sm₄(NDC)₅(Phen)₄(µ₄-CO₃)(H₂O)₃].3H₂O.CH₃OH (1) is determined by single crystals X-ray diffraction. π-conjugated ligand (NDC=1,8-Naphthalene dicarboxylate; Phen=phenanthroline) affects both absorption and photoluminescence intensity. Moreover, from the χ_mT vs temperature plot, it is observed that there is an occurrence of antiferromagnetic interaction among the Sm^III centers. The cluster possesses high magnetocaloric value at low temperature which offers itself as a potential candidate for cryogenic molecular magnetic refrigerant material. In addition, thermogravimetric analysis, Hirsh field surface area analysis, and the optical diffuse reflectance spectrum of this cluster is also described.

Graphical abstract

The synthesis, characterization, and magnetic properties of the Samarium cluster are described. The cluster is formed by the capturing of atmospheric CO₂ in the form of carbonate ions which connects all four metal centers. The cluster exhibits a high magnetocaloric effect for which it can be used for molecular magnetic refrigerant material. Besides this, it can be a potential candidate for luminescent materials.

以1,8-萘二羧酸盐(NDC= 1,8萘二羧酸盐)和1,10-菲罗啉(Phen)为原料合成了镧系羧酸盐簇。Sm(III)簇被用于发光和磁制冷性能。最有趣的是，大气二氧化碳的自固定形成碳酸盐离子，碳酸盐离子作为桥接配体，位于簇的中间。通过不同的光谱工具，如FT-IR，光致发光光谱和分子结构[Sm4(NDC)5(Phen)4(µ4- co3)(H2O)3]. 3h2o对该簇进行了表征。CH3OH(1)是用单晶x射线衍射测定的。π共轭配体(NDC=1,8-萘二羧酸酯;phenen(菲罗啉)影响吸收和光致发光强度。此外，从χmT与温度的关系图中可以观察到SmIII中心之间存在反铁磁相互作用。该簇在低温下具有较高的磁热值，可作为低温分子磁性制冷剂材料的潜在候选材料。此外，还描述了该星团的热重分析、赫什场表面积分析和光学漫反射光谱。本文描述了钐簇的合成、表征和磁性能。该簇是通过以碳酸盐离子的形式捕获大气中的二氧化碳形成的，碳酸盐离子连接了所有四个金属中心。该簇具有较高的磁热效应，可用于分子磁性制冷剂材料。除此之外，它还可以作为发光材料的潜在候选材料。

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引用次数: 1