Com o objetivo de elucidar e quantificar os efeitos do solvente sobre os deslocamentos químicos de 17 O de três 5-triclorometilisoxazóis [(1a) não-, (1b) 3-metil-e (1c) 4-metil-substituído] foi realizada uma análise de regressão multilinear, utilizando os parâmetros solvatocrômicos de Kamlet-Abboud-Taft (KAT). Os deslocamentos químicos do átomo de oxigênio do anel, O1, dos compostos 1a-c mostraram dependências (em ppm) em função da polaridade-polarizabilidade do solvente de-4.8π*,-3.2π*,-8.9π*, em função da acidez do solvente (HBD) de 0.9α,-0.2α,-2.7α e em função da basicidade do solvente (HBA) de-0.4β, 1.9β, 0.9β, respectivamente. Os dados de carga líquida de O1 e de momento de dipolo, obtidos por cálculos de orbitais moleculares (AM1), são comparados com os parâmetros de efeitos do solvente determinados para os compostos 1a-c. A multilinear-regression analysis using the Kamlet-Abboud-Taft (KAT) solvatochromic parameters in order to elucidate and quantify the solvent effects on the 17 O chemical shifts of three 5-trichloromethylisoxazoles [(1a) non-, (1b) 3-methyl-and (1c) 4-methyl-substituted] is reported. The chemical shifts of ring oxygen atom, O1, of compounds 1a-c show dependencies (in ppm) on the solvent polarity-polarizability of-4.8π*,-3.2π*,-8.9π*, on the solvent hydrogenbond-donor (HBD) acidities 0.9α,-0.2α,-2.7α and the solvent hydrogen-bond-acceptor (HBA) basicities-0.4β, 1.9β, 0.9β, respectively. The data of net charges of O1 and dipole moment, obtained from MO calculations (AM1), are compared with the solvent effect parameters obtained for compounds 1a-c.
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