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Synthesis and structure of 2,8-dimethyl-10,10-dichlorophenoxatellurine 2,8-二甲基-10,10-二氯苯氧碲的合成与结构
IF 1.8 3区 化学 Q2 Materials Science Pub Date : 2021-01-01 DOI: 10.1515/mgmc-2021-0002
Farzin Mostaghimi, Daniel Duvinage, E. Lork, J. Beckmann
Abstract The condensation of 4,4’-dimethyldiphenylether with tellurium tetrachloride yielded 2,8-dimethyl-10,10-dichlorophenoxatellurine (3), which was characterized by X-ray diffraction. Unlike the parent phenoxatellurine (1) and the 10,10,-dichlorophenoxatellurine (2) showing butterfly conformations, 3 reveals a planar ring structure.
摘要4,4’-二甲基二苯醚与四氯化碲缩合得到2,8-二甲基-10,10-二氯苯氧碲(3),并用X射线衍射对其进行了表征。与显示蝶形构象的母体苯并碲(1)和10,10,-二氯苯并碲(2)不同,3揭示了平面环结构。
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引用次数: 0
Fractional metric dimension of metal-organic frameworks 金属有机骨架的分数度量维数
IF 1.8 3区 化学 Q2 Materials Science Pub Date : 2021-01-01 DOI: 10.1515/mgmc-2021-0012
M. Raza, M. Javaid, N. Saleem
Abstract Metal-organic frameworks (MOF(n)) are organic-inorganic hybrid crystalline porous materials that consist of a regular array of positively charged metal ions surrounded by organic ‘linker’ molecules. The metal ions form nodes that bind the arms of the linkers together to form a repeating, cage-like structure. Moreover, in a chemical structure or molecular graph, edges and vertices are known as bonds and atoms, respectively. Metric dimension being a subsets of atoms with minimum cardinality is used in the substrcturing of the chemical compounds in the molecular structures. Fractional metric dimension is weighted version of metric dimension that associate a numeric value to the identified subset of atoms. In this paper, we have computed the fractional metric dimension of metal organic framework (MOF(n)) for n ≡ 0(mod)2.
金属-有机框架(MOF(n))是有机-无机杂化晶体多孔材料,由带正电的金属离子的规则阵列组成,周围是有机“连接”分子。金属离子形成节点,将连接臂连接在一起,形成重复的笼状结构。此外,在化学结构或分子图中,边和顶点分别被称为键和原子。度量维是具有最小基数的原子子集,用于分子结构中化合物的基化。分数度量维度是度量维度的加权版本,它将数值与已识别的原子子集相关联。在本文中,我们计算了n≡0(mod)2时金属有机骨架(MOF(n))的分数度量维数。
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引用次数: 9
New horizons for the synthesis of nanoparticles: Germanium nanoparticles from metastable GeBr-solutions 纳米颗粒合成的新领域:亚稳态GeBr溶液中的锗纳米颗粒
IF 1.8 3区 化学 Q2 Materials Science Pub Date : 2021-01-01 DOI: 10.1515/mgmc-2021-0026
Viktoriia Slynchuk, M. Hodas, Dominik Naglav-Hansen, F. Schreiber, A. Schnepf
Abstract We present the synthesis and characterization of halide-terminated colloidal Ge nanoparticles of 2–10 nm with a narrow size distribution, synthesized via a novel reaction route. The nanoparticles are prepared by the disproportionation reaction of metastable Ge(I)X solutions and are obtained in a maximum yield of 79%. Control of the nanoparticle size is achieved by varying the aging time and/or temperature. The halide termination of the nanoparticles is a perfect prerequisite for further surface functionalization but also leads to a high sensitivity of the germanium nanoparticles to water and air.
摘要我们介绍了通过一种新的反应路线合成的2–10 nm窄尺寸分布的卤化物封端的胶体锗纳米颗粒的合成和表征。纳米颗粒是通过亚稳态Ge(I)X溶液的歧化反应制备的,并且以79%的最大产率获得。纳米颗粒尺寸的控制是通过改变老化时间和/或温度来实现的。纳米颗粒的卤化物封端是进一步表面功能化的完美先决条件,但也导致锗纳米颗粒对水和空气的高灵敏度。
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引用次数: 1
Eccentricity based topological indices of face centered cubic lattice FCC(n) 面心立方晶格FCC(n)的基于偏心度的拓扑指数
IF 1.8 3区 化学 Q2 Materials Science Pub Date : 2021-01-01 DOI: 10.1515/mgmc-2021-0005
H. Shaker, M. Imran, W. Sajjad
Abstract Chemical graph theory has become a prime gadget for mathematical chemistry due to its wide range of graph theoretical applications for solving molecular problems. A numerical quantity is named as topological index which explains the topological characteristics of a chemical graph. Recently face centered cubic lattice FCC(n) attracted large attention due to its prominent and distinguished properties. Mujahed and Nagy (2016, 2018) calculated the precise expression for Wiener index and hyper-Wiener index on rows of unit cells of FCC(n). In this paper, we present the ECI (eccentric-connectivity index), TCI (total-eccentricity index), CEI (connective eccentric index), and first eccentric Zagreb index of face centered cubic lattice.
化学图论因其在解决分子问题上的广泛应用而成为数学化学的主要工具。一个数字量被称为拓扑指数,它解释了化学图的拓扑特征。面心立方晶格FCC(n)由于其突出而独特的性能引起了广泛的关注。Mujahed and Nagy(2016, 2018)计算了Wiener指数和hyper-Wiener指数在FCC单位细胞行上的精确表达式(n)。本文给出了面心立方晶格的偏心连通性指数(ECI)、总偏心指数(TCI)、连接偏心指数(CEI)和第一偏心萨格勒布指数。
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引用次数: 5
Editorial: Topological investigations of chemical networks 社论:化学网络的拓扑研究
IF 1.8 3区 化学 Q2 Materials Science Pub Date : 2021-01-01 DOI: 10.1515/mgmc-2021-0030
M. Javaid, M. Imran
Abstract The topic of computing the topological indices (TIs) being a graph-theoretic modeling of the networks or discrete structures has become an important area of research nowadays because of its immense applications in various branches of the applied sciences. TIs have played a vital role in mathematical chemistry since the pioneering work of famous chemist Harry Wiener in 1947. However, in recent years, their capability and popularity has increased significantly because of the findings of the different physical and chemical investigations in the various chemical networks and the structures arising from the drug designs. In additions, TIs are also frequently used to study the quantitative structure property relationships (QSPRs) and quantitative structure activity relationships (QSARs) models which correlate the chemical structures with their physio-chemical properties and biological activities in a dataset of chemicals. These models are very important and useful for the research community working in the wider area of cheminformatics which is an interdisciplinary field combining mathematics, chemistry, and information science. The aim of this editorial is to arrange new methods, techniques, models, and algorithms to study the various theoretical and computational aspects of the different types of these topological indices for the various molecular structures.
摘要拓扑指数的计算作为网络或离散结构的图论建模,由于其在应用科学的各个分支中的巨大应用,已成为当今研究的一个重要领域。自1947年著名化学家哈里·维纳的开创性工作以来,TI在数学化学中发挥了至关重要的作用。然而,近年来,由于对各种化学网络和药物设计产生的结构进行了不同的物理和化学研究,它们的能力和受欢迎程度显著提高。此外,TI还经常用于研究定量结构-性质关系(QSPR)和定量结构-活性关系(QSAR)模型,这些模型将化学品数据集中的化学结构与其理化性质和生物活性相关联。这些模型对于在更广泛的化学信息学领域工作的研究界来说非常重要和有用,化学信息学是一个结合了数学、化学和信息科学的跨学科领域。这篇社论的目的是安排新的方法、技术、模型和算法来研究各种分子结构的不同类型的拓扑指数的各种理论和计算方面。
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引用次数: 1
Some topological properties of uniform subdivision of Sierpiński graphs Sierpiński图一致细分的一些拓扑性质
IF 1.8 3区 化学 Q2 Materials Science Pub Date : 2021-01-01 DOI: 10.1515/mgmc-2021-0006
Jia-bao Liu, H. M. A. Siddiqui, M. Nadeem, M. Binyamin
Abstract Sierpiński graphs are family of fractal nature graphs having applications in mathematics of Tower of Hanoi, topology, computer science, and many more diverse areas of science and technology. This family of graphs can be generated by taking certain number of copies of the same basic graph. A topological index is the number which shows some basic properties of the chemical structures. This article deals with degree based topological indices of uniform subdivision of the generalized Sierpiński graphs S(n,G) and Sierpiński gasket Sn. The closed formulae for the computation of different kinds of Zagreb indices, multiple Zagreb indices, reduced Zagreb indices, augmented Zagreb indices, Narumi-Katayama index, forgotten index, and Zagreb polynomials have been presented for the family of graphs.
Sierpiński图是分形性质图的家族,在河内塔的数学、拓扑学、计算机科学和许多不同的科学和技术领域都有应用。这类图可以通过对相同的基本图进行一定数量的复制来生成。拓扑指数是表示化学结构的一些基本性质的数字。本文研究了广义Sierpiński图S(n,G)和Sierpiński垫片Sn的一致细分的基于度的拓扑指标。对图族给出了计算不同类型的萨格勒布指数、多重萨格勒布指数、约化萨格勒布指数、增广萨格勒布指数、Narumi-Katayama指数、遗忘指数和萨格勒布多项式的封闭公式。
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引用次数: 5
Fabrication, characterization, and photocatalytic performance of ternary cadmium chalcogenides CdIn2S4 and Cd7.23Zn2.77S10-ZnS thin films 三元镉硫系化合物CdIn2S4和Cd7.23Zn2.77S10-ZnS薄膜的制备、表征及光催化性能
IF 1.8 3区 化学 Q2 Materials Science Pub Date : 2021-01-01 DOI: 10.1515/mgmc-2021-0008
U. Daraz, T. Ansari, Shafique Ahmad Arain, M. Mansoor, M. Mazhar, F. Hussain
Abstract Dithiocarbamate complexes [Cd(S2CNCy2)2(py)] (1), [In(S2CNCy2)3]·2py (2) and [Zn(S2CNCy2)2(py)] (3) were synthesized and toluene solution of (1) and (2) was used as dual source precursor for the synthesis of CdIn2S4 (CIS), while that of (1) and (3) was applied for the deposition of Cd7.23Zn2.77S10–ZnS composite (CZS-ZS) thin film photoan-odes by employing single step aerosol assisted chemical vapor deposition (AACVD) technique. Deposition experiments were performed at 500°C under an inert ambient of argon gas. The structural properties of deposited films were evaluated by using X-ray diffraction (XRD), energy dispersive X-ray spectroscopy (EDX), X-ray photoelectron spectroscopy (XPS), and Raman spectroscopy. The field emission scanning electron microscopy (FESEM) exposed surface morphologies while UV-Visible spectrophotometry revealed that CIS is low band gap photoanode in comparison to CZS-ZS. The comparison of photoelectrochemical (PEC) responses measured in identical conditions in terms of linear sweep voltammetry (LSV) depicts photocurrent density of 4.4 mA /cm2 and 2.9 mA/cm2 at applied potential of 0.7 V under solar light intensity of 100 mW/cm2 for CIS and CZS-ZS respectively. Further, electrochemical impedance spectroscopy (EIS) confirms that PEC properties of CIS are superior to CZS-ZS photoanode as the former offer less charge transfer resistance (Rct) 0.03 MΩ in comparison to CZS-ZS having Rct value of 0.06 MΩ.
摘要合成了二硫代氨基甲酸酯配合物[Cd(S2CNCy2)2(py)](1)、[In(S2CNCy2)3]·2py(2)和[Zn(S2CNCy2)2(py)](3),并以(1)和(2)的甲苯溶液作为双源前驱体合成CdIn2S4 (CIS),采用单步气溶胶辅助化学气相沉积(AACVD)技术将(1)和(3)的甲苯溶液用于沉积Cd7.23Zn2.77S10-ZnS复合材料(cjs - zs)薄膜光电二极管。沉积实验在500℃氩气惰性环境下进行。采用x射线衍射(XRD)、能量色散x射线能谱(EDX)、x射线光电子能谱(XPS)和拉曼光谱对沉积膜的结构性能进行了评价。场发射扫描电镜(FESEM)和紫外可见分光光度法显示CIS是低带隙光阳极。在相同条件下,用线性扫描伏安法(LSV)测量的电化学(PEC)响应比较表明,在100 mW/cm2的太阳光强下,CIS和cjs - zs在0.7 V的施加电位下的光电流密度分别为4.4 mA/cm2和2.9 mA/cm2。此外,电化学阻抗谱(EIS)证实了CIS的PEC性能优于cts - zs光阳极,因为前者的电荷转移电阻(Rct)小于cts - zs, Rct值为0.03 MΩ,而cts - zs的Rct值为0.06 MΩ。
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引用次数: 2
Synthesis and structural characterization of a novel 2D supramolecular lead coordination polymer with phenanthroline derivate and adipic acid 邻菲罗啉衍生物与己二酸的新型二维超分子铅配位聚合物的合成与结构表征
IF 1.8 3区 化学 Q2 Materials Science Pub Date : 2021-01-01 DOI: 10.1515/mgmc-2021-0025
Yufei Song, Yu Yan, Hua Zhang, Xiuyan Wang
Abstract A new metal-organic coordination polymer, [Pb(L)(adip)0.5] (1) was synthesized under hydrothermal conditions by using 1-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)naphthalen-2-ol (HL) and adipic acid (H2adip). The complex 1 was characterized by diffraction and elemental analyses. In complex 1, the binuclear [Pb2L2] units were formed by the OH-deprotonation bridging neighboring Pb(II) atoms, and the adipate linked the binuclear [Pb2L2] units to form a symmetric one-dimensional chain. The 1D chain was further extended to the 2D supramolecular layer structure through π-π interactions between the L ligands.
摘要以1-(1H-咪唑并[4,5-f][1,10]菲咯啉-2-基)萘-2-醇(HL)和己二酸(H2adip)为原料,在水热条件下合成了一种新型金属有机配位聚合物[Pb(L)(adip)0.5](1)。通过衍射和元素分析对配合物1进行了表征。在配合物1中,双核[Pb2L2]单元是通过OH去质子化桥接相邻的Pb(II)原子而形成的,己二酸酯连接双核[Pb2L2]单元以形成对称的一维链。通过L配体之间的π-π相互作用,1D链进一步延伸到2D超分子层结构。
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引用次数: 3
Szeged-type indices of subdivision vertex-edge join (SVE-join) 细分顶点边连接(SVE连接)的Szeged型索引
IF 1.8 3区 化学 Q2 Materials Science Pub Date : 2021-01-01 DOI: 10.1515/mgmc-2021-0011
Syed Sheraz Asghar, M. Binyamin, Yu‐ming Chu, Shehnaz Akhtar, M. A. Malik
Abstract In this article, we compute the vertex Padmakar-Ivan (PIv) index, vertex Szeged (Szv) index, edge Padmakar-Ivan (PIe) index, edge Szeged (Sze) index, weighted vertex Padmakar-Ivan (wPIv) index, and weighted vertex Szeged (wSzv) index of a graph product called subdivision vertex-edge join of graphs.
摘要在本文中,我们计算了一个称为图的细分顶点边连接的图乘积的顶点Padmakar-Ivan(PIv)索引、顶点Szeged(Szv)指数、边Padmakar-Evan(PIe)索引、边Szeged(Sze)指数、加权顶点Padmacar-Ivan(wPIv)指数和加权顶点Szeged(wSzev)指数。
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引用次数: 6
On analysis of thermodynamic properties of cuboctahedral bi-metallic structure 立方八面体双金属结构热力学性质的分析
IF 1.8 3区 化学 Q2 Materials Science Pub Date : 2021-01-01 DOI: 10.1515/mgmc-2021-0014
M. K. Siddiqui, Y. Chu, Muhammad Nasir, M. Cancan
Abstract Porous materials, for example, metalnatural structures (MOFs) and their discrete partners metalnatural polyhedra (MOPs), that are built from coordinatively unsaturated inorganic hubs show incredible potential for application in gas adsorption/partition cycles, catalysis, and arising openings in hardware, optics, detecting, and biotechnology. A well-known hetero-bimetallic metalorganic polyhedra of this discrete partners metalnatural polyhedra (MOPs) class is cuboctahedral bi-metallic stricture. In this paper, we discuss the stricture of Hetero-bimetallic metalorganic polyhedra (cuboctahedral bi-metallic). Also, we computed the topological indices based on the degree of atoms in this cuboctahedral bi-metallic structure.
摘要多孔材料,例如,由配位不饱和无机枢纽构建的金属天然结构(MOFs)及其离散伙伴金属天然多面体(MOPs),在气体吸附/分配循环、催化以及硬件、光学、检测和生物技术领域显示出令人难以置信的应用潜力。这种离散伙伴金属有机多面体(MOPs)类的一种众所周知的异双金属金属有机多面体是立方八面体双金属狭窄。本文讨论了异双金属有机多面体的结构。此外,我们还根据这种立方八面体双金属结构中原子的数量计算了拓扑指数。
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引用次数: 5
期刊
Main Group Metal Chemistry
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