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通过电负性-硬度景观图研究氧化还原和路易斯酸碱活性。

Redox and Lewis acid-base activities through an electronegativity-hardness landscape diagram.

机构信息

Department of Chemistry and Center for Theoretical Studies, Indian Institute of Technology Kharagpur, Kharagpur, 721302, India.

出版信息

J Mol Model. 2013 Nov;19(11):4857-64. doi: 10.1007/s00894-013-1986-6. Epub 2013 Sep 17.

Abstract

Chemistry is the science of bond making and bond breaking which requires redistribution of electron density among the reactant partners. Accordingly acid-base and redox reactions form cardinal components in all branches of chemistry, e.g., inorganic, organic, physical or biochemistry. That is the reason it forms an integral part of the undergraduate curriculum all throughout the globe. In an electronegativity (χ)- hardness (η) landscape diagram the diagonal χ = η line separates reducing agents from oxidizing agents as well as Lewis acids from Lewis bases. While electronegativity is related to the degree of electron transfer between two reactants, hardness is related to the resistance to that process. Accordingly the electronegativities of oxidizing agents/Lewis acids are generally greater than the corresponding hardness values and the reverse is true for reducing agents/Lewis bases. Electrophiles and nucleophiles are also expected to follow similar trends.

摘要

化学是关于成键和断键的科学,这需要在反应物之间重新分配电子密度。因此,酸碱反应和氧化还原反应是化学各个分支(如无机化学、有机化学、物理化学或生物化学)的核心组成部分。这就是为什么它在全球范围内成为本科课程不可或缺的一部分的原因。在电负性(χ)-硬度(η)景观图中,对角线 χ = η 线将还原剂与氧化剂以及路易斯酸与路易斯碱分开。虽然电负性与两个反应物之间电子转移的程度有关,但硬度与该过程的阻力有关。因此,氧化剂/路易斯酸的电负性通常大于相应的硬度值,而还原剂/路易斯碱则相反。亲电试剂和亲核试剂也有望遵循类似的趋势。

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