质子转移平衡和氢键的临界行为

L. Sobczyk, B. Czarnik-Matusewicz, M. Rospenk, M. Obrzud
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引用次数: 5

摘要

本文的目的是分析氢键性质的酸碱体系依赖于质子转移的能力在Bronsted方法的配方。在用log𝐾PT=𝜉Δ𝑝𝐾方程定义了质子转移平衡后,给出了各种不同的物理性质的例子,如偶极矩、红外光谱和核磁共振,这些都与Δ𝑝𝐾抛射值相关。通过这种方法,可以定义一个氢键的临界状态,该状态对应于低势垒下单个最小值或双最小值的质子运动势。本文特别注意发现了迄今为止没有分析过的电子谱和振动极化率的定量分析,可以达到很高的电子极化率数量级。
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Proton Transfer Equilibria and Critical Behavior of H-Bonding
The aim of the present paper is an analysis of the hydrogen bond properties for the acid-base systems depending on the ability to the proton transfer in the formulation of the Bronsted approach. After definition of the proton transfer equilibrium expressed by using the equation log𝐾PT=𝜉Δ𝑝𝐾𝑁, various examples of different physical properties, such as dipole moments, IR spectra, and nuclear magnetic resonances, are presented which correlate with the Δ𝑝𝐾𝑁 value. In such a way, a critical state of hydrogen bonding can be defined that corresponds to the potential of the proton motion for either single minimum or double minimum with low barrier. A particular attention in this paper found electronic spectra which have not been analysed so far and the quantitative analysis of the vibrational polarizability which can reach very high values of the order of electronic polarizability.
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