Abstract
The possible correlation between Hammett’s constant (σ p), a characteristic parameter of functional groups with electrodonating or electroaccepting properties, and two indices of global reactivity were calculated in the gas phase. Parameters associated to a set of 22 structural variants of isatoic anhydride (2H–3, 1–benzoxazin–2,4(1H)–dione, ISA), replaced with diverse functional groups, were explored applying linear and quadratic statistical models for numerical analysis of the results. The correlation between Hammettʼs constant (σp) and global reactivity indices were calculated in gas phase for 22 structural variants of isatoic anhydride (2H–3,1–benzoxazin–2,4(1H)–dione, ISA). Statistical models for numerical analysis of the results were explored. A good fit for this particular set of molecules was found.
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