Electrochemical investigation of lanthanide octa-tert-butylsubstituted diphthalocyanine complexes in solutions. Approximation of their redox transitions by semiempirical calculations for yttrium diphthalocyanineстатья
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Дата последнего поиска статьи во внешних источниках: 18 июля 2013 г.
Аннотация:The electrochemical potentials of seven redox transitions for green forms and eight redox transitions for blue forms of neutral octa-tert-butylsubstituted diphthalocyanine complexes of lanthanides Pc(2)(t)Ln (Ln = Pr, Sm, Dy, and Lu) in solutions were measured by cyclic voltammetry and rotating disc electrode techniques. The spectroelectrochemical investigation of the products of two-electron oxidation and reduction of the green form of (Pc2Lu)-Lu-t was performed. The frontier molecular orbitals, total charge densities, total spin densities, electrostatic potentials, and heats of ion formation for (Pc(2)y)(m+,n-) (m = 0, 1, 2, and 3; n = 1, 2, 3, and 4), which can model the products of the redox transitions of the diphthalocyanines under study, were calculated using the semiempirical ZINDO/1 method. The calculations for (Pc2Y)(m+,n-) and absorption spectra show that the electron changes in all redox transitions of the green forms of Pc(2)(t)Ln are mainly localized on the ligands.