Arturo Alcorta-Sánchez

Enthalpies of formation, proton affinities, and gas-phase basicities of protonated azoles and quaternary azolium salts

Abstract The enthalpies of formation of five families of azoles, parent, protonated parent, neutral N -methyl azoles, protonated N -methyl azoles, and N,N -dimethyl quaternary salts from pyrazole to benzotriazole, in all, 82 compounds, have been studied theoretically and compared...