钌卤化物配合物在金属制药和材料科学中的应用(一)

V. K. Sahu, A. Soni, Kavindra Kumar Mishra, Rajesh K Singh
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摘要

钌很容易形成配位配合物,这些配合物在许多领域都有应用。一项文献调查表明,设计可以与不同氧化态的钌(Ru)络合的新配体可以导致具有多种应用的新材料的开发。进入21世纪,材料科学和计算机科学研究的重心已经从“如何制造分子”转向了“制造什么分子”,也就是分子设计。现在这些也是量子化的。正如我们所知,物理学、化学和生物学都是在原子水平上进行探索的,最后,数学数据被输入到目标模拟所需的软件中。本研究的目的是研究Ru(II)的卤化物和混合卤化物,这可以更精确地帮助开发新的应用所需的Ru(II)配合物,或者可以帮助微调已有的Ru(II)配合物的性质。因此,对Ru(II)化合物卤化物原子细节的研究以及分子轨道图的构建一目了然,将提供对物理化学、生化、电化学、热化学、磁性、光谱化学、催化、光活性和物质细节的洞察。这将有助于解决各种尚未合成的配合物的合成困难。我们还研究了钌卤化物的云膨胀效应、浊化效应和电化学系列,发现影响络合物化学反应的首要因素是金属离子(Ru2+)空轨道的可用性,其次是配体给电子对的难易性。复杂化合物的取代反应也将机械化,通过拓扑分析也可以制备出新的取代产物(化合物),而那些用普通方法在规定的时间和成本下还无法合成的取代产物(化合物)。因此首先对Ru(II)卤化物进行了研究。在这些研究结果的帮助下,我们将能够研究这些卤化物与选择性配体的络合,形成尚未制备或难以制备的Ru(II)的选择性络合化合物。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Application of Halides Complexes of Ruthenium (II) in Metallopharmaceuticals and in Material Science: Part-I
Ruthenium readily forms coordinate-complexes and these complexes have their applications in diverse fields. A survey of literature shows that designing of new ligands that can be complexed with Ruthenium (Ru) in various oxidation states can lead to development of new materials with diverse applications. In 21st century the gravity of approach of material science together with computer science has shifted from, how to make a molecule to what molecule to make, in other words molecular design. And now these are also quantized. As we know that physics, chemistry, and biology were explored at atomic levels and finally mathematical data were fed to grow required software for aimed simulations. The aim of present study is to study halides and mixed halides of Ru(II), which more precisely can help in the development of new Ru(II) complexes of desired application and or can help in fine tuning the property of pre-existing Ru(II) complexes. Thus, this study of atomistic details of halides of Ru(II) compounds along with construction of molecular orbital diagram at a glance will provide an insight of physicochemical, biochemical, electrochemical, thermochemical, magnetic, spectrochemical, catalytic, photoactive, and materialistic details. And this will help to solve the difficulties of synthesis of various complexes yet not synthesized. We know that all chemical reaction of complex compounds will be affected firstly by availability of vacant orbital(s) on metal ion (Ru2+) and secondly by the easiness of donation of electron pair(s) by ligands as we have also studied cloud-expanding effect, nephelauxetic effect, and electrochemical series of these Ruthenium(II) halides. The substitution reaction of complex compounds will also be mechanized and new substitution products (compounds) can also be prepared as topological analysis have also been made, those yet cannot synthesize by ordinary methods in required time and required cost too. Hence the halides of Ru(II) studied firstly. With the help of results of these studies, we will able to study complexation of these halides with selective ligands to form selective complex compounds of Ru(II) yet not prepared or have difficulties in preparation.
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