论文部分内容阅读
本文在确定了一元烷基磷(膦)酸酯萃取稀土的性能主要决定于取代基极性和立体效应的基础上,在继长碳链烷基及烷氧基极性参数σ~P后,又提出了这类化合物萃取稀土反应中的取代基立体参数E_(PA)~(RE)。将这类参数应用到其他的萃取体系也获得良好的相关关系。与反映取代基空间效应的Charton的v参数比较,其E_(PA)~(RE)与v间具良好的线性关系。根据加和性规则,可以求得萃取剂分子中取代基因极性参数和立体参数的总和。由此可计算或预测某些萃取剂的性能,实验值与计算值很接近,这对设计新萃取剂很有帮助,在萃取剂分子设计数学模型的建立中,它提供了重要的结构参数。
In this paper, it is confirmed that the performance of rare earth extracted by monobasic alkylphosphoric (phosphine) ester mainly depends on the polarity and stereoscopic effect of substituent. After the polar parameters σ ~ P of alkyl and alkoxyl groups in long carbon chain, In addition, the stereoscopic parameters E_ (PA) ~ (RE) of the substituents in rare earths were also proposed. There is also a good correlation between the use of these parameters and other extraction systems. Compared with the Charton v parameter which reflects the space effect of substituent, E_ (PA) ~ (RE) has a good linear relationship with v. According to the additive rules, the sum of the polar parameters and the stereo parameters of the substitution gene in the extractant molecule can be obtained. From this, the performance of some extractants can be calculated or predicted, and the experimental values are close to the calculated values. This is very helpful for the design of new extractants. It provides important structural parameters in the establishment of mathematical model of extractant molecular design.