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A comparison of multiparametric methods for the interpretation of solvent-dependent chemical processes

机译:溶剂依赖性化学过程解释的多马次方法比较

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Kamlet-Abraham-Taft (KAT)'s and Catalan's multiparametric methods for the interpretation of solvent-dependent chemical processes were compared by application to seven probes with solvent-dependent spectro-scopic properties recorded in a variety of solvents. Regression analyses of the data obtained from the literature or in the present work allowed a comparison of the two methods, not only from the quality of the fitting of the calculated vs. experimental values for each probe, but also from the interpretation of the solvent effects in terms of the sign and magnitude of the regression coefficients. In general, Catalan's parameters proved superior to KATs in the interpretation of solvent effects by means of their multiparametric approach. (C) 2020 Elsevier B.V. All rights reserved.
机译:通过施用到7个探针,将Kamlet-Abraham-Taft(KAT)和加泰罗尼州的多射频方法进行了依赖于溶剂依赖性化学方法的溶剂依赖性化学方法。在各种溶剂中记录的溶剂依赖性光谱 - SCOPIC特性进行比较。 从文献或本作工作中获得的数据的回归分析允许比较这两种方法,不仅是从计算出的对每个探针的实验值的拟合的质量,而且来自溶剂效应的解释 就回归系数的符号和幅度而言。 一般而言,加泰罗尼亚州的参数通过其多级方法解释溶剂效应的优于KATS。 (c)2020 Elsevier B.v.保留所有权利。

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