论文部分内容阅读
Pearson 从大量的实验事实归纳出的软硬酸碱原理广泛地应用于解释许多化学现象,还应用于评价和预料化学反应,极为简便、实用。然而,软硬酸碱原理的理论基础尚在不断地充实之中。近来微扰理论和密度泛函理论研究的结果表明:软硬酸碱能成功地描述化学反应,有明确的物理意义。现在(?)将定域硬度(或软度)和分子的化学活性定量地联系了起来。本文指出了酸碱软硬度键参数与物质性质定量研究的美好前景。
Pearson from a large number of experimental facts to determine the hard and soft acid-base principle is widely used to explain many chemical phenomena, but also used to evaluate and predict chemical reactions, extremely simple and practical. However, the theoretical basis of the theory of hard and soft acid and alkali is still constantly enriched. Recent perturbation theory and density functional theory study results show that: soft and hard acid and alkali can successfully describe the chemical reaction, there is a clear physical meaning. Now (?) Quantitatively correlates localized hardness (or softness) with the chemical activity of the molecule. This paper points out the good prospects for the quantitative study of acid-base soft and hard bond parameters and material properties.