Rational design of dyes for pivotical Gratzel cells is solidly based on knowledge of structural electronic factors defining experimentally observed spectra. The current work applies time-dependent density functional theory approach to evaluate the potential usefulness of 3-amino-3-(pyperidine-1-yl)arylazoacrylonitriles as sensibilizers for dye-sensitized solar cells. The energy of electron transitions observed in UV-Vis spectra for arylazoamidines strongly depends on electronic structure of substituent in aromatic ring and, thus, describes compounds which can be possibly used as sensibilizing reagents for Gratzel's solar cells.
Translated title of the contribution3-Amino-3-(pyperidine-1-yl)arylazoacrylonitriles as sensibilizing agents for Gratzel cells
Original languageRussian
Pages (from-to)46-50
JournalБутлеровские сообщения
Volume32
Issue number12
Publication statusPublished - 2012

    Level of Research Output

  • VAK List

    GRNTI

  • 31.00.00 CHEMISTRY

ID: 9136102