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Stability and Applications of Coordination Compounds最新文献

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Ligands and Coordination Compounds Used as New Photosensitized Materials for the Construction of Solar Cells 作为新型光敏材料的配体和配位化合物在太阳能电池中的应用
Pub Date : 2020-05-09 DOI: 10.5772/INTECHOPEN.92268
Y. Torres
Ligand with conjugated π systems presents high planar and delocalized electronic density, which allows it to capture the radiations with an energy interval of wavelengths between 400 and 600 nm. The ligands can be linked to inorganic materials favoring the interchange in the system. Lewis acids improve the electronic distribution between donor and acceptor favoring the optical and electronic properties, yielding superior efficiencies. In this chapter, the evolution of the ligands such as Porphyrins, Metal-free organic dyes, and Ruthenium complexes used, and the construction of solar cells is described. In this context, three different small-molecule acceptors-donors are reported; o -PDT, m -PDT and p -PDT, based on phenyldiammine (PD) as spacer, and Thiazole (T) were designed and synthesized. There were estimated electronic, optical and photovoltaic parameters for these molecules. The interaction energies of functional groups for PD and T molecules, with DFT/B3LYP method, gas phase with 6-31g (d, 2p) basis sets, were represented and computed. The best photovoltaic parameters were described for p -PDT with PCE 26.18%, Jsc = 14.79 mAcm 2 and Δ E = 2.66 eV. The metal ion influences the electronic properties and decreases the Δ E GAP. The incorporation of the transition metals into hyperconjugated systems provides rigidity and effects of electronic back donation.
共轭π体系的配体具有较高的平面和离域电子密度,使其能够捕获波长在400 ~ 600 nm之间的能量区间的辐射。配体可以与无机材料连接,有利于体系中的交换。路易斯酸改善了供体和受体之间的电子分布,有利于光学和电子性质,产生了优越的效率。在这一章中,描述了卟啉、无金属有机染料、钌配合物等配体的发展,以及太阳能电池的结构。在这种情况下,三种不同的小分子受体供体被报道;以苯二胺(PD)和噻唑(T)为间隔剂,设计合成了o -PDT、m -PDT和p -PDT。估计了这些分子的电子、光学和光伏参数。用DFT/B3LYP方法,在6-31g (d, 2p)基集的气相条件下,表示并计算了PD和T分子官能团的相互作用能。最佳光伏参数为PCE 26.18%, Jsc = 14.79 macm2, Δ E = 2.66 eV。金属离子影响了电子性能,降低了Δ E GAP。过渡金属加入到超共轭体系中,提供了刚性和电子反捐赠效应。
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引用次数: 2
Stability of Metal Complexes 金属配合物的稳定性
Pub Date : 2020-03-05 DOI: 10.5772/intechopen.90894
S. Muthaiah, A. Bhatia, M. Kannan
The stability of coordination complex is an important factor that decides the stability and reactivity of a metal complex. The stability of metal complex is governed by two different aspects such as thermodynamic and kinetic stabilities. The correlation between stability and reactivity of coordination compounds has been described in this chapter. This chapter also enlists the factors influencing the stability of metal complexes such as the nature of metal ions, ligands, bonding between metal ions and ligands, etc. In addition, the methods available for the determination of stability constants are given in detail.
配合物的稳定性是决定金属配合物稳定性和反应性的重要因素。金属配合物的稳定性由热力学稳定性和动力学稳定性两个方面决定。本章描述了配位化合物的稳定性与反应性之间的关系。本章还列举了影响金属配合物稳定性的因素,如金属离子的性质、配体的性质、金属离子与配体之间的键合等。此外,还详细介绍了测定稳定常数的常用方法。
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引用次数: 6
Crystal Structure and Solid-State Properties of Metal Complexes of the Schiff Base Ligands Derived from Diacetylmonoxime: A Brief Review 二乙酰一肟类席夫碱配体金属配合物的晶体结构和固态性质综述
Pub Date : 2020-02-19 DOI: 10.5772/intechopen.90171
P. Mandal, U. Das, K. Dey, Saikat Sarkar
The fabulous advancement of a large section of modern coordination chemistry depends upon different kinds of strategically designed and functionally tuned ligand systems; Schiff base ligands play a pivotal role among them. Such Schiff bases become more motivating when they are designed to be synthesized using very simple organic molecules. This paper reviews our work on a family of three functionally different types of Schiff base ligands, derived from diacetylmonoxime, which have been employed to synthesize mononuclear metal complexes with various binding modes of ligands and topologies around the metal centers. Such Schiff base ligands have been synthesized by reacting diacetylmonoxime with diethylenetriamine, 1,3-diaminopropane-2-ol, and morpholine N-thiohydrazide. The synthesized Schiff bases and the metal complexes of such “ privileged ligands ” show many interesting supramolecular coordination architectures involving different weak forces, e.g., H-bonding, C – H (cid:1)(cid:1)(cid:1) π interactions, etc.
现代配位化学的很大一部分惊人的进步依赖于不同类型的战略设计和功能调谐配体系统;席夫碱配体在其中起着关键作用。当这种希夫碱被设计成可以用非常简单的有机分子合成时,它们就变得更有动力了。本文综述了从二乙酰一元肟衍生的三种功能不同类型的希夫碱配体家族的研究进展,这些配体已被用于合成具有不同配体结合模式和金属中心周围拓扑结构的单核金属配合物。这种希夫碱配体是由二乙酰一亚胺与二乙基三胺、1,3-二氨基丙烷-2-醇和咪唑啉n -硫酰肼反应合成的。合成的席夫碱和这种“特权配体”的金属配合物显示出许多有趣的涉及不同弱力的超分子配位结构,例如H键,C - H (cid:1)(cid:1)(cid:1) (cid:1) π相互作用等。
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引用次数: 0
Salen and Related Ligands Salen及其相关配体
Pub Date : 2020-01-23 DOI: 10.5772/intechopen.88593
A. Asatkar, M. Tripathi, Deepali Asatkar
The salen and related ligands are very popular among the inorganic chemists due to multiple reasons such as ease in synthesis, coordinating ability with very long range of metal ions, facilitating the metal ions to adopt various geometries, ability of stabilising the metal ion in variable oxidation states and potential applications of metallosalen in several fields. The most common application of metallosalen is in the field of catalysis because of their recoverability, reusability, high efficiency, high selectivity and their capability of working as homogeneous as well as heterogeneous catalysts for numerous functional group manipulations including asymmetric synthesis. Molecular magnetism, sensory applications, bioinorganic activities and medicinal applications of metallosalen are also very promising areas of their applications. Porous materials involving metal organic frameworks (MOFs) and supramolecular building blocks are increasingly getting attention of researchers for the gas absorption and heterogeneous catalysis.
salen及其相关配体因其易于合成、与很长范围金属离子的配位能力、易于金属离子采用各种几何形状、在各种氧化态下稳定金属离子的能力以及在多个领域的潜在应用等原因而受到无机化学家的广泛欢迎。金属salen最常见的应用是在催化领域,因为它们具有可恢复性,可重复使用,高效率,高选择性以及它们作为均相和多相催化剂的能力,包括不对称合成在内的许多官能团操作。金属salen的分子磁学、传感应用、生物无机活性和医学应用也是其非常有前景的应用领域。以金属有机骨架(MOFs)和超分子构件为主体的多孔材料在气体吸附和非均相催化方面越来越受到研究人员的关注。
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引用次数: 3
Stability of Vanadium Chalcone Complexes 钒查尔酮配合物的稳定性
Pub Date : 2020-01-23 DOI: 10.5772/intechopen.88072
V. Borge, R. Patil
The vanadyl(IV) complexes of substituted chalcones were prepared by reflux-ing vanadyl sulphate with different substituted chalcones in ethanoic medium. The chalcones were prepared with different aromatic aldehydes like benzaldehyde, hydroxy benzaldehyde, nitro benzaldehyde and chloro benzaldehyde. The synthesized Vanadium complexes were characterized by different spectral techniques. The IR spectral studies revealed that the chalcone derivatives are bidentate ligand. Magnetic studies, electron spin resonance and UV studies suggest that the complexes are in square pyramidal geometry. Conductance measurements suggest that all complexes are non-electrolyte in DMF. The thermal study explained the stability of complex and its decomposition. The synthesized ligand and metal complexes were screened for their antibacterial activity against E. coli and Staphylococcus aureus bacterial strains and for antifungal activity against P. notatum . and square pyramidal geometry of the VO(II) complexes which is supported by the electronic spectra. The IR spectra shows bonding of the metal through O-donor atoms of the ligands. In this study VO(II) complexes shows the moderate activity against Escherichia coli , Staph aureus bacteria and against P. notatum fungi.
用硫酸钒基与不同取代查尔酮在乙醇介质中回流制备了取代查尔酮的钒基(IV)配合物。以苯甲醛、羟基苯甲醛、硝基苯甲醛和氯苯甲醛为原料制备查尔酮。用不同的光谱技术对合成的钒配合物进行了表征。红外光谱研究表明查尔酮衍生物为双齿配体。磁性研究、电子自旋共振和紫外线研究表明,配合物呈方形金字塔几何形状。电导测量表明,DMF中所有复合物都是非电解质。热研究解释了配合物的稳定性及其分解。合成的配体和金属配合物对大肠杆菌和金黄色葡萄球菌的抑菌活性以及对葡萄球菌的抑菌活性进行了筛选。和VO(II)配合物的方锥体几何形状,这是由电子光谱支持的。红外光谱显示金属通过配体的o给体原子成键。在本研究中,VO(II)复合物显示出对大肠杆菌、金黄色葡萄球菌和notatum真菌的中等活性。
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引用次数: 2
Stability Constants of Metal Complexes in Solution 金属配合物在溶液中的稳定性常数
Pub Date : 2019-11-25 DOI: 10.5772/INTECHOPEN.90183
Jagvir Singh, Abhay Nanda Srivastav, N. Singh, Anuradha Singh
In the formation of metal complexes in an aqueous medium, equilibrium constant or stability constant is used to determine the strength of interaction between reagents that make the final product after the formation of bonds. In general stability means that a complex may be stored for a long time under suitable conditions or this compound may be existing under suitable conditions. Regarding how much is the concentration of complexes in solution, stability constant provides this information via calculations. These calculations are very much important in many areas of science like chemistry, biology, and medicine. During the complex formation in aqueous medium, two types of stabilities are considered: one is the thermodynamic stability, and the other is kinetic stability. Stability of metal complexes may be affected by various factors like nature of central metal ion and ligand, chelating effect, etc., and some parameters like distribution coefficients, conductance, refractive index, etc. are useful for the determination of stability constants. Various modern techniques are used to determine the stability constant of simple as well as mixed ligand compounds.
在水介质中形成金属配合物时,平衡常数或稳定常数用于确定形成键后最终产物的试剂之间相互作用的强度。一般来说,稳定性是指配合物可以在适当的条件下长时间储存,或者该化合物可以在适当的条件下存在。关于溶液中络合物的浓度是多少,稳定常数通过计算提供了这个信息。这些计算在化学、生物学和医学等许多科学领域都非常重要。在水介质中络合物的形成过程中,考虑了两种稳定性:一种是热力学稳定性,另一种是动力学稳定性。金属配合物的稳定性受中心金属离子和配体性质、螯合效应等多种因素的影响,而分布系数、电导、折射率等参数是确定金属配合物稳定性常数的重要参数。各种现代技术被用来测定简单和混合配体化合物的稳定常数。
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引用次数: 21
Schiff Bases and Their Metallic Derivatives: Highly Versatile Molecules with Biological and Abiological Perspective 希夫碱及其金属衍生物:具有生物学和非生物学视角的高度通用分子
Pub Date : 2019-04-30 DOI: 10.5772/INTECHOPEN.80799
M.K.I. Khan, S. Gul, M. Khan
1998 onwards, a span reporting thousands of research articles describes the ever-increasing applicability of Schiff bases and their metallic complexes; this chapter comprehensively examines the literature of the last 20 years. The structural diversity of these molecules made them available for a very wide range of biological and abiological applications. Schiff bases are excellent chelators and due to this unique property have found their place in qualitative and quantitative determina-tion of metals in aqueous media. The structural diversity of metal chelates proved these to be outstanding catalysts and displayed interesting fluorescence effect. Finally, Schiff base moieties have found a unique position during the in vitro and in vivo experiments for drug development against a huge number of biological enti-ties including bacteria, fungi, cancer cells, viruses, parasites, etc.
1998年起,一篇报道了数千篇研究文章的文章描述了希夫碱及其金属配合物日益增长的适用性;本章全面考察了近20年来的文献。这些分子的结构多样性使它们可用于非常广泛的生物和非生物应用。希夫碱是一种优良的螯合剂,由于其独特的性质,在水介质中金属的定性和定量测定中占有重要的地位。金属螯合物的结构多样性证明了它们是很好的催化剂,并表现出有趣的荧光效应。最后,希夫碱基在体外和体内实验中发现了独特的地位,用于针对大量生物实体(包括细菌、真菌、癌细胞、病毒、寄生虫等)的药物开发。
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引用次数: 5
Chiral Mono- and α-Diimines and Their Pd(II) Complexes with Anticancer Activity 具有抗癌活性的手性单亚胺和α-二亚胺及其Pd(II)配合物
Pub Date : 2018-11-05 DOI: 10.5772/INTECHOPEN.80796
G. Hernández, Daniela Gutiérrez, Gloria E. Moreno, O. Portillo, René Gutiérrez, E. Brambila
The aim of this review is to provide mainly an outlook of the synthesis and characterization of chiral mono- and α -diimines ligands and their Pd(II) complexes carried out in our group in the last few years. Some other issues with simple chiral imines synthesized in our lab are also outlined. The report includes details about their versatile coordination patterns, biological activity in cancer cell lines, and engaging properties in different fields, such as materials science.
本文主要综述了近年来本课课组在手性单亚胺和α -二亚胺配体及其Pd(II)配合物的合成和表征方面的研究进展。本文还概述了本实验室合成的简单手性亚胺的其他一些问题。该报告详细介绍了它们的多功能协调模式、在癌细胞系中的生物活性以及在不同领域(如材料科学)的引人入胜的特性。
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引用次数: 1
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Stability and Applications of Coordination Compounds
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