Electron structure and spectroscopic properties of yttrium compounds with cinnamic and quinaldic acids
- Autores: Emelina T.1, Kalinovskaya I.1, Mirochnik A.1
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Afiliações:
- Institute of Chemistry, Far Eastern Branch
- Edição: Volume 86, Nº 9 (2016)
- Páginas: 2088-2094
- Seção: Article
- URL: https://journals.rcsi.science/1070-3632/article/view/216177
- DOI: https://doi.org/10.1134/S1070363216090188
- ID: 216177
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Resumo
The analysis of electron structure of yttrium(III) complexes with cinnamic and quinaldic acids was carried out. Electron transitions were assigned, and influence of the nature of frontier orbitals on the position of absorption bands in the electron spectra was revealed. The TD-DFT calculation has shown that different ratios of intensities of π–π* and n–π* bands in the electron absorption spectra of the compounds are caused by different natures of frontier orbitals of the complexes. It was found that dipole moments of both complexes increase upon photoexcitation, greater changes being observed in Y(III) quinaldate. The reason of the greater Stokes shift of Y(III) quinaldate was established.
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Sobre autores
T. Emelina
Institute of Chemistry, Far Eastern Branch
Autor responsável pela correspondência
Email: maks-im2@mail.ru
Rússia, pr. 100-letiya Vladivostoka 159, Vladivostok, 690022
I. Kalinovskaya
Institute of Chemistry, Far Eastern Branch
Email: maks-im2@mail.ru
Rússia, pr. 100-letiya Vladivostoka 159, Vladivostok, 690022
A. Mirochnik
Institute of Chemistry, Far Eastern Branch
Email: maks-im2@mail.ru
Rússia, pr. 100-letiya Vladivostoka 159, Vladivostok, 690022