ISSN:
0030-493X
Keywords:
Chemistry
;
Analytical Chemistry and Spectroscopy
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
Using Cooks' method, the relative gas phase proton affinities of six azoles (imidazole, benzimidazole, pyrazole, indazole, 1-methylindazole and 2-methylindazole) have been determined. Ab initio calculations have been carried out for these six molecules and the corresponding cations, thus allowing the determination of protonation energies. Even the correlation between these quantities (-log K = 0.438+0.0744δΔEp) is far from perfect (r2 = 0.863), the order of basicity is the same. Aqueous basicities, pKa values, are totally uncorrelated.
Additional Material:
1 Ill.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/oms.1210191208
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