Complex Study of Electronic States and Spectra of 3-Nitroformazans

Результат исследований: Материалы для журналаСтатья

1 Цитирования (Scopus)


A theoretical and experimental study of electronic states and the absorption spectra of 3-nitroformazan molecules was conducted. The results of the study show that the first electron transition is σ→π-transition, and the second one is π→π-transition. The energies of the transitions calculated using methods RI-CC2 and TDDFT correlate well with the experimental measurements. The dependence of the first electron transition wavenumber on the degree of electron donating and accepting of substitutituents was studied using empirical constants. High correlation between the constants of Hammett, Braun, and wavenumbers (TDDFT) of the first electron transition shows that the description of electronic states of the studied 3-nitroformazans is correct.

Язык оригиналаАнглийский
Страницы (с-по)197-203
Число страниц7
ЖурналRussian Physics Journal
Номер выпуска2
СостояниеОпубликовано - 1 июн 2016

ASJC Scopus subject areas

  • Physics and Astronomy(all)

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