Basicity of C-substituted pyrazoles in the gas phase: an experimental (ICR) and theoretical study

…, T Canada, J Catalan, RM Claramunt…

Index: Abboud, J.-L. M.; Cabildo, P.; Canada, T.; Catalan, J.; Claramunt, R. M.; et al. Journal of Organic Chemistry, 1992 , vol. 57, # 14 p. 3938 - 3946

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Citation Number: 60

Abstract

The experimental gas-phase proton affinities (PAS) of 32 NH and N-methyl pyrazoles have been determined by means of Fourier transform ion cyclotron resonance spectroscopy (FTICR). Together with the previodsly reported PAe for 12 C-methyl-substituted pyrazoles, they provide a set of 57 data (counting each tautomer separately). The remarkably large spread of PAS, ca. 55 kcal-mol-', makes this set most suitable for structural analyses. In a ...