Abstract
We have carried out a correlation analysis of some physicochemical characteristics of pyrrole, pyrazole, imidazole, triazole, and tetrazole, calculated by the semiempirical quantum-chemical AM1 method. We have found the linear dependences of the ionization potential, the dipole moment, and the acidity on the π-electron excess, and also the dependence of the ionization potential on the enthalpy of formation of the studied azoles.
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Kikalishvili, T.J., Kereselidze, J.A. Comparative Characteristics of Some Physicochemical Properties of Azoles. Chemistry of Heterocyclic Compounds 39, 71–73 (2003). https://doi.org/10.1023/A:1023020725189
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DOI: https://doi.org/10.1023/A:1023020725189