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Orientador(es)
Resumo(s)
Solution enthalpies of 18-crown-6 have been obtained for a set of 14 protic and aprotic solvents at 298.15 K. The complementary use of Solomonov's methodology and a QSPR-based approach allowed the identification of the most significant solvent descriptors that model the interaction enthalpy contribution of the solution process (Delta H-int(A/S)). Results were compared with data previously obtained for 1,4-dioxane. Although the interaction enthalpies of 18-crown-6 correlate well with those of 1,4-dioxane, the magnitude of the most relevant parameters, pi* and beta, is almost three times higher for 18-crown-6. This is rationalized in terms of the impact of the solute's volume in the solution processes of both compounds. (C) 2015 Elsevier B.V. All rights reserved.
Descrição
Palavras-chave
Solution enthalpy Interaction enthalpy Cavity term Kamlet–Taft parameters QSPR 18-crown- 6
Contexto Educativo
Citação
REISA, Marina; [et al.] - Use of quantitative structure-property relationships to study the solvation process of 18-crown-6. Thermochimica Acta. ISSN.0040-6031. Vol. 604 (2015), pp. 140-144
Editora
Elsevier Science BV