Comparative Characteristics of Some Physicochemical Properties of Azoles |
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| Authors: | T. J. Kikalishvili J. A. Kereselidze |
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| Affiliation: | (1) I. Javakhishvili Tbilisi State University, Tbilisi, 380028, Republic of Georgia |
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| 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  -electron excess, and also the dependence of the ionization potential on the enthalpy of formation of the studied azoles. |
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| Keywords: | azoles dipole moment quantum-chemical calculations correlation analysis ionization potential enthalpy |
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