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

Aliaga, Carolina; Dominguez, Moises; Rojas, Pablo; Caroli Rezende, Marcos

Abstract

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.

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Título según WOS: ID WOS:000559968600062 Not found in local WOS DB
Título de la Revista: JOURNAL OF MOLECULAR LIQUIDS
Volumen: 312
Editorial: Elsevier
Fecha de publicación: 2020
DOI:

10.1016/j.molliq.2020.113362

Notas: ISI