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1.Standard enthalpies of formation of the new monomer salts were calculated using the computationally feasible DFT(B3LYP) and MP2 methods in conjunction with an empirical approach based on densities of salts. 2.The molar degree of substitution of the inorganic and organic acid on polymer 10 was found to fall between 48 and 92 mol % based on elemental analysis data . The partial substitution of acids on the triazole-ring of polymer 10 may arise from difference in acid strengths or from varying degrees of steric hinderance during protonation reactions. Furthermore, the fact that an increase of positive charge density of the polymer salt leads to a decrease in the basicity of poly(1-vinyl-1,2,4-triazole) could be another reason for the experimentalresults. |
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