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Ultrasound-promoted solvent-free synthesis of some new α-aminophosphonates as potential antioxidants 超声促进无溶剂合成一些新型α-氨基膦酸盐作为潜在抗氧化剂
IF 1.8 3区 化学 Q2 Materials Science Pub Date : 2020-01-01 DOI: 10.1515/mgmc-2020-0018
Meson Haji Basha, C. Subramanyam, K. P. Rao
Abstract Ultrasonic irradiation has been adopted in order to achieve an efficient synthesis of some novel α-aminophosphonates by Pudovik reaction. Major benefits of this method are as follows: eco-friendly, free of catalyst, high yielding, uncomplicated work-up procedure, short reaction time, and solvent free condition. Spectral characterisation and elemental analysis of the synthesized samples was carried out. In vitro antioxidant activity of the title compounds was screened by DPPH˙, O2-˙ and NO˙ scavenging methods. Good activity was shown by most of the compounds as compared with the standards.
摘要采用超声辐照的方法,通过Pudovik反应合成了一些新型的α-氨基膦酸盐。该方法的主要优点是:环保、无催化剂、产率高、后处理过程简单、反应时间短、无溶剂。对合成的样品进行了光谱表征和元素分析。通过DPPH、O2-和NO清除方法筛选标题化合物的体外抗氧化活性。与标准品相比,大多数化合物显示出良好的活性。
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引用次数: 10
Magnetically recoverable nanostructured Pd complex of dendrimeric type ligand on the MCM-41: Preparation, characterization and catalytic activity in the Heck reaction MCM-41上可磁性回收的树枝状配体纳米Pd配合物的制备、表征及其在Heck反应中的催化活性
IF 1.8 3区 化学 Q2 Materials Science Pub Date : 2020-01-01 DOI: 10.1515/mgmc-2020-0023
M. Abdollahi-Alibeik, Najmeh Gharibpour, Zahra Ramazani
Abstract A palladium complex of a dendrimer type ligand of aminoethylacrylamide immobilized onto the mesoporous channels of MCM-41 with magnetic core was prepared and characterized using various techniques such as XRD, TEM, BET, FT-IR, TGA, and VSM. The prepared nanostructured material was found as a magnetically recoverable catalyst for Heck reaction of aryl halides and vinylic C–H. The catalyst is easily recoverable with an external magnet and is reusable with different leaching amounts depending to loading of Pd. A hot filtration test was also performed and gave evidence that Palladium in heterogeneous samples can dissolve and then redeposit on the surface of the support material. Graphical Abstract
摘要利用XRD、TEM、BET、FT-IR、TGA和VSM等技术,制备了一种固定在MCM-41介孔通道上的氨基乙基丙烯酰胺树枝状配体钯配合物。所制备的纳米结构材料被发现是芳基卤化物和乙烯基C–H的Heck反应的磁性可回收催化剂。该催化剂很容易用外部磁铁回收,并可根据钯的负载量以不同的浸出量重复使用。还进行了热过滤测试,证明非均质样品中的钯可以溶解,然后再沉积在载体材料表面。图形摘要
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引用次数: 4
Synthesis of pyrimidines by Fe3O4@SiO2-L-proline nanoparticles 嘧啶的合成Fe3O4@SiO2-L-proline纳米粒子
IF 1.8 3区 化学 Q2 Materials Science Pub Date : 2020-01-01 DOI: 10.1515/mgmc-2020-0014
J. Safaei‐Ghomi, Z. Samadi
Abstract Fe3O4@SiO2-L-proline nanoparticles have been used as an effective catalyst for the preparation of pyrimidines by three-component reactions of 1,3-dimethylbarbituric acid, aromatic aldehydes and 4-methyl aniline or 4-methoxy aniline under reflux condition in ethanol. Fe3O4@SiO2-L-proline nanoparticles have been characterized by scanning electronic microscopy (SEM), powder X-ray diffraction (XRD), vibrating sample magnetometer (VSM), thermal gravimetric analysis (TGA), energy dispersive X-ray (EDS), dynamic light scattering (DLS) and FT-IR spectroscopy. This method provides several advantages including, the reusability of the catalyst, low catalyst loading, atom economy, short reaction times and high yields of products.
摘要Fe3O4@SiO2-L-proline在乙醇回流条件下,1,3-二甲基巴比妥酸、芳香醛与4-甲基苯胺或4-甲氧基苯胺的三组分反应制备嘧啶时,纳米粒子已被用作有效的催化剂。Fe3O4@SiO2-L-proline通过扫描电子显微镜(SEM)、粉末X射线衍射(XRD)、振动样品磁强计(VSM)、热重分析(TGA)、能谱仪(EDS)、动态光散射(DLS)和红外光谱对纳米颗粒进行了表征。该方法提供了几个优点,包括催化剂的可重复使用性、低催化剂负载量、原子经济性、短反应时间和高产物产率。
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引用次数: 2
Synthesis and structural characterization of dialkyltin complexes of N-salicylidene-L-valine N-亚水杨基-L-缬氨酸二烷基锡配合物的合成及结构表征
IF 1.8 3区 化学 Q2 Materials Science Pub Date : 2020-01-01 DOI: 10.1515/mgmc-2020-0017
Laijin Tian, Ruili Wang, Jiawei Zhang, Fubi Zhong, Yu-Qin Qiu
Abstract The synthesis and characterization of five new chiral dialkyltin complexes of N-salicylidene-L-valine, [2-O-3-R-5-R'C6H2C(H)=NCH(CH(CH3)2)C(O)O]SnR''2 (R, R', R'' = H, H, Me (1); H, Br, Me (2); OMe, H, Et (3); Br, Br, n-Bu (4); CH(OMe)2, Me, n-Bu (5)), have been reported. Compounds 1-5 are all (S)-enantiomers, and their crystal structures have been studied. Compound 1 displays a trimeric macrocyclic structure in which the coordination environment of each tin atom is a distorted [SnC2NO3] octahedron. In complexes 2-5, the tin atom has an intermediate geometry between trigonal bipyramidal and square pyramidal, and 3 is closer to a square pyramid. In crystals, a zigzag supramolecular chain is formed by the intermolecular C-H…O, O-H…O or Sn…O interactions.
摘要N-亚水杨基-L-缬氨酸,[2-O-3-R-5-R'C6H2C(H)=NCH(CH(CH3)2)C(O)O]SnR''2(R,R',R'=H,H,Me(1)五个新的手性二烷基锡配合物的合成与表征;H、 Br,Me(2);OMe,H,Et(3);Br,Br,n-Bu(4);CH(OMe)2,Me,n-Bu(5))。化合物1-5均为(S)-对映体,并对其晶体结构进行了研究。化合物1显示出三聚大环结构,其中每个锡原子的配位环境是扭曲的[SnC2NO3]八面体。在配合物2-5中,锡原子的几何结构介于三角双锥和方锥之间,3更接近方锥。在晶体中,分子间的C-H…O、O-H…O或Sn…O相互作用形成Z字形超分子链。
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引用次数: 5
Abnormally aggregation-induced emissions observed from hydrogen- and silyl-substituted siloles 从氢和硅基取代的硅井观察到异常聚集引起的排放
IF 1.8 3区 化学 Q2 Materials Science Pub Date : 2020-01-01 DOI: 10.1515/mgmc-2020-0015
Zhengang Han, Kefeng Xie
Abstract Silacyclopentadienes (siloles) are currently of great interest because of their intriguing aggregation-induced emission (AIE) characteristics. In this work, abnormally AIE phenomena were observed from silyl- and hydrogen-substituted siloles respectively. We propose silyl-substituent and hydrogen atom effects to explain this via both experiments and theoretical calculations. It was discovered that trimethylsilyl substituents destroyed the p-interactions with the silole core and resulted in the non-fluorescence. Additionally, 1-chloro-1-H-2,3,4,5-tetraphenylsilole featuring strong fluorescences in both solid and solution states with high fluorescence quantum yields represents a new potential photoelectric material. This work not only reports the silole with strong fluorescences in both solid and solution states for the first time but also contributs to enrich the AIE research of siloles. Graphical Abstract
摘要硅环戊二烯(siloles)由于其有趣的聚集诱导发射(AIE)特性,目前引起了人们的极大兴趣。在这项工作中,分别从甲硅烷基和氢取代的硅烷中观察到异常的AIE现象。我们通过实验和理论计算提出了甲硅烷基取代基和氢原子效应来解释这一点。研究发现,三甲基甲硅烷基取代基破坏了与硅唑核的p-相互作用,导致非荧光。此外,1-氯-1-H-2,3,4,5-四苯基硅烷在固态和溶液态都具有强荧光,具有高荧光量子产率,是一种新的潜在光电材料。这项工作不仅首次报道了在固体和溶液状态下都具有强荧光的silole,而且有助于丰富silole的AIE研究。图形摘要
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引用次数: 3
Eccentric topological properties of a graph associated to a finite dimensional vector space 与有限维向量空间相关的图的偏心拓扑性质
IF 1.8 3区 化学 Q2 Materials Science Pub Date : 2020-01-01 DOI: 10.1515/mgmc-2020-0020
Jia-bao Liu, Imran Khalid, M. T. Rahim, M. U. Rehman, Faisal Ali, M. Salman
Abstract A topological index is actually designed by transforming a chemical structure into a number. Topological index is a graph invariant which characterizes the topology of the graph and remains invariant under graph automorphism. Eccentricity based topological indices are of great importance and play a vital role in chemical graph theory. In this article, we consider a graph (non-zero component graph) associated to a finite dimensional vector space over a finite filed in the context of the following eleven eccentricity based topological indices: total eccentricity index; average eccentricity index; eccentric connectivity index; eccentric distance sum index; adjacent distance sum index; connective eccentricity index; geometric arithmetic index; atom bond connectivity index; and three versions of Zagreb indices. Relationship of the investigated indices and their dependency with respect to the involved parameters are also visualized by evaluating them numerically and by plotting their results.
拓扑指数实际上是通过将化学结构转化为数字来设计的。拓扑指数是刻画图拓扑的图不变量,在图自同构下保持不变。基于偏心度的拓扑指数在化学图论中具有重要意义和重要作用。在本文中,我们在以下11个基于离心率的拓扑指数的背景下,考虑与有限域上的有限维向量空间相关联的图(非零分量图):总离心率指数;平均偏心率指数;偏心连通性指数;偏心距和指数;相邻距离和指数;连接偏心率;几何算术指标;原子键连接性指数;以及萨格勒布指数的三个版本。研究指标的关系及其对相关参数的依赖性也通过数值评估和绘制结果来可视化。
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引用次数: 4
On multiplicative degree based topological indices for planar octahedron networks 平面八面体网络的基于乘法度的拓扑指数
IF 1.8 3区 化学 Q2 Materials Science Pub Date : 2020-01-01 DOI: 10.1515/mgmc-2020-0026
Ghulam Dustigeer, Haidar Ali, Muhammad Imran Khan, Yu‐ming Chu
Abstract Chemical graph theory is a branch of graph theory in which a chemical compound is presented with a simple graph called a molecular graph. There are atomic bonds in the chemistry of the chemical atomic graph and edges. The graph is connected when there is at least one connection between its vertices. The number that describes the topology of the graph is called the topological index. Cheminformatics is a new subject which is a combination of chemistry, mathematics and information science. It studies quantitative structure-activity (QSAR) and structure-property (QSPR) relationships that are used to predict the biological activities and properties of chemical compounds. We evaluated the second multiplicative Zagreb index, first and second universal Zagreb indices, first and second hyper Zagreb indices, sum and product connectivity indices for the planar octahedron network, triangular prism network, hex planar octahedron network, and give these indices closed analytical formulas.
化学图论是图论的一个分支,其中化合物用简单的图表示,称为分子图。化学原子图中有化学键和边。当图的顶点之间至少有一个连接时,这个图就是连通的。描述图的拓扑结构的数字称为拓扑索引。化学信息学是化学、数学和信息科学相结合的一门新兴学科。它研究了定量结构-活性(QSAR)和结构-性质(QSPR)关系,用于预测化合物的生物活性和性质。对平面八面体网络、三角棱柱网络、六边形平面八面体网络的第二乘性萨格勒布指数、第一和第二通用性萨格勒布指数、第一和第二超萨格勒布指数、和和乘积连通性指标进行了评价,并给出了这些指标的封闭解析公式。
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引用次数: 10
s-Block metal scorpionates – A new sodium hydrido-tris(3,5-dimethyl-1-pyrazolyl)borate salt showing an unusual core stabilized by bridging and terminal O-bonded DMSO ligands s-嵌段金属蝎子——一种新的三(3,5-二甲基-1-吡唑基)硼酸氢钠盐,显示出通过桥接和末端O-键合二甲基亚砜配体稳定的不同寻常的核心
IF 1.8 3区 化学 Q2 Materials Science Pub Date : 2020-01-01 DOI: 10.1515/mgmc-2020-0012
L. Plasseraud, H. Cattey
Abstract Dissolution of [(μ-Me2CO)3(NaTp*)2] (1) (Tp* = hydrido-tris(3,5-dimethyl-1-pyrazolyl)borate) in DMSO at room temperature leads to the growth of colourless crystals characterized as the new salt [Na2Tp*(μ-Me2SO)3(Me2SO)3] [NaTp*2] (2). 2 crystallized in the trigonal space group R3 with Z = 3, a = 14.1227(2) Å, b = 14.1227(10) Å, c = 33.9685(2) Å, and V = 5867.35(17) Å3. Interestingly, anion and cation of 2 both contain the Tp* ligand. Moreover, the cationic moiety highlights an unusual sodium atom hexacoordinated by six DMSO molecules acting as O-bonded ligands. Three of which exhibit a bridging coordination mode and three are in terminal position. To the best of our knowledge, the framework of [Na2Tp*(μ-Me2SO)3(Me2SO)3] is unprecedented.
摘要室温下,[(μ-Me2CO)3(NaTp*)2](1)(Tp*=三(3,5-二甲基-1-吡唑基)硼酸氢酯)在二甲基亚砜中的溶解导致无色晶体的生长,其特征为新的盐[Na2Tp*(μ-Ma2SO)3(Me2SO)3][NaTp*2](2)。2在三角空间群R3中结晶,Z=3,a=14.1227(2)Å,b=14.1227,c=33.9685(2)å,V=5867.35(17)Å3。有趣的是,2的阴离子和阳离子都含有Tp*配体。此外,阳离子部分突出了一个由六个DMSO分子作为O-键合配体六配位的不同寻常的钠原子。其中三个表现出桥接协调模式,三个处于终端位置。据我们所知,[Na2Tp*(μ-Me2SO)3(Me2SO)3]的框架是前所未有的。
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引用次数: 0
Organodiphosphines in PtP2X2 (X = As, Ge or Te) derivatives – Structural aspects PtP2X2(X=As、Ge或Te)衍生物中的有机二膦-结构方面
IF 1.8 3区 化学 Q2 Materials Science Pub Date : 2020-01-01 DOI: 10.1515/mgmc-2020-0016
M. Melnik, P. Mikuš
Abstract Structural data of cis-Pt(η2-P2L)(XL)2 (X = Ge or Te), cis-Pt(η2-P2L)(η2-X2L) (X = As, Ge or Te) and trans-Pt(η2-P,TeL)2 were classified and analyzed. The chelating ligands create varieties of metallocyclic rings, which open in the sequence: 83.1° (GeGeGe) < 83.8° (AsC2As) < 86.2° (PC2P) < 88.5° (PC2Te) < 89.7° (PC3P) ~ 89.7° (GeGe2Ge). The structural data are compared and discussed with the complexes of an inner coordination spheres Pt(η2-P2L)(XL)2 (X = O, N, CN, B, Cl, S, Se, Si, Br or I), Pt(η2-P2L)(η2- X2L) (X = O, N, S, Se or Si), and Pt(η2-P,SiL)2.
对顺式Pt(η2-P2L)(XL)2(X=Ge或Te)、顺式Pt(η2-P2L)(η2-X2L)(X=As,Ge或Te)和反式Pt的结构数据进行了分类和分析。螯合配体产生各种金属环,其开口顺序为:83.1°(GeGeGe)<83.8°(AsC2As)<86.2°(PC2P)<88.5°(PC2Te)<89.7°(PC3P)~89.7°(GeGe2Ge)。将结构数据与内配位球Pt(η2-P2L)(XL)2(X=O,N,CN,B,Cl,S,Se,Si,Br或I)、Pt。
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引用次数: 4
Structures of Pt(0)P3, Pt(0)P4 and Pt(II)P4 – Distortion isomers Pt(0)P3, Pt(0)P4和Pt(II)P4 -畸变异构体的结构
IF 1.8 3区 化学 Q2 Materials Science Pub Date : 2020-01-01 DOI: 10.1515/mgmc-2020-0013
M. Melnik, P. Mikuš
Abstract In this review are analyzed and classified crystallographic and structural parameters of P(0)P3, Pt(0) P4 and Pt(II)P4 derivatives – distortion isomers. Some of the isomers are differing not only by degree of distortion but also by crystal class. There are three types of organo-phosphines which build up the respective geometry about the platinum atoms. In Pt(0)P3 a distorted trigonal planar geometry is build up by three monodentate PPh3 ligands. In Pt(0)P4 a tetrahedral geometry with various degree of distortion is build up by a pair of homo-bidentate ligands. In Pt(II)P4 isomers a square-planar geometries with various degree of distortion are build up by bidentate-P,P’donor ligands, (except one example of isomers, where a tetradentate is involved). The bidentate-P,P’-donor ligands form: four-(PNP,PCP), five-(PC2P) and six-(PC3P) metallocyclic rings. The tetradentate forms five-(PC2P). There are some cooperative effects between Pt–P bond distances and the metallocyclic rings, and at the same time a distortion of the respective geometry increases.
本文对P(0)P3、Pt(0) P4和Pt(II)P4衍生物畸变异构体的晶体学和结构参数进行了分析和分类。有些异构体不仅在变形程度上不同,而且在晶体类别上也不同。有三种类型的有机磷化氢,它们分别建立了关于铂原子的几何结构。在Pt(0)P3中,由三个单齿PPh3配体建立了一个扭曲的三角形平面几何。在Pt(0)P4中,由一对均匀双齿配体建立了具有不同程度畸变的四面体几何结构。在Pt(II)P4异构体中,由双齿P,P '供体配体建立了具有不同程度畸变的方形平面几何形状(除了一个异构体的例子,其中涉及四齿)。双齿-P,P ' -给体形成四-(PNP,PCP),五-(PC2P)和六-(PC3P)金属环。四齿形成5 -(PC2P)。Pt-P键距与金属环之间存在一定的协同效应,同时各自的几何变形增大。
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引用次数: 0
期刊
Main Group Metal Chemistry
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