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José S. Durand-Niconoff, Luis Cruz-Kuri, Jesús S. Cruz-Sánchez, Myrna H. Matus and Fernando R. Ramos-Morales Relationship between local reactivity indices and the hammett constant for isatoic anhydride and its derivatives International Journal of Quantum Chemistry 112

Version of Record online: 5 JUN 2012 | DOI: 10.1002/qua.24195

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Reactivity indices are used as descriptors of changes in the reactivity pattern of a molecule resulting from substitutions of functional groups. Indices such as local softness, condensed Fukui function, relative electrophilicity, and relative nucleophilicity are used in this work to study the local reactivity of isatoic anhydride and its derivates. A statistical linear model is proposed to describe the relationship between substituent effect and gas phase reactivity indices with respect to Hammett constant values.

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