Application of density functional theory and optical spectroscopy for the prediction of the photophysical properties of Р-pyridylphospholanes
- Авторы: Gerasimova T.P.1, Shamsieva A.V.1, Strelnik I.D.1, Katsyuba S.A.1, Musina E.I.1, Karasik A.A.1, Sinyashin O.G.1
-
Учреждения:
- A. E. Arbuzov Institute of Organic and Physical Chemistry, Federal Research Center” “Kazan Scientific Center of the Russian Academy of Sciences
- Выпуск: Том 68, № 2 (2019)
- Страницы: 254-261
- Раздел: Full Articles
- URL: https://journals.rcsi.science/1066-5285/article/view/243241
- DOI: https://doi.org/10.1007/s11172-019-2380-z
- ID: 243241
Цитировать
Аннотация
The spatial and electronic structure of a series of pyridyl-containing phospholanes, which are potential ligands for the synthesis of luminescent transition metal complexes, was studied using Raman, IR and UV spectroscopy in combination with quantum chemical calculations. A series of model 1-(pyridin-2-yl)phospholane derivatives with various substituents in the pyridyl fragment was considered. Correlations between electronic structure, spectral characteristics, as well as position and nature of substituents were revealed. The obtained results can be used for rational design of complexes with specified optical properties.
Об авторах
T. Gerasimova
A. E. Arbuzov Institute of Organic and Physical Chemistry, Federal Research Center” “Kazan Scientific Center of the Russian Academy of Sciences
Автор, ответственный за переписку.
Email: tatyanagr@gmail.com
Россия, 8 ul. Arbuzova, Kazan, 420088
A. Shamsieva
A. E. Arbuzov Institute of Organic and Physical Chemistry, Federal Research Center” “Kazan Scientific Center of the Russian Academy of Sciences
Email: tatyanagr@gmail.com
Россия, 8 ul. Arbuzova, Kazan, 420088
I. Strelnik
A. E. Arbuzov Institute of Organic and Physical Chemistry, Federal Research Center” “Kazan Scientific Center of the Russian Academy of Sciences
Email: tatyanagr@gmail.com
Россия, 8 ul. Arbuzova, Kazan, 420088
S. Katsyuba
A. E. Arbuzov Institute of Organic and Physical Chemistry, Federal Research Center” “Kazan Scientific Center of the Russian Academy of Sciences
Email: tatyanagr@gmail.com
Россия, 8 ul. Arbuzova, Kazan, 420088
E. Musina
A. E. Arbuzov Institute of Organic and Physical Chemistry, Federal Research Center” “Kazan Scientific Center of the Russian Academy of Sciences
Email: tatyanagr@gmail.com
Россия, 8 ul. Arbuzova, Kazan, 420088
A. Karasik
A. E. Arbuzov Institute of Organic and Physical Chemistry, Federal Research Center” “Kazan Scientific Center of the Russian Academy of Sciences
Email: tatyanagr@gmail.com
Россия, 8 ul. Arbuzova, Kazan, 420088
O. Sinyashin
A. E. Arbuzov Institute of Organic and Physical Chemistry, Federal Research Center” “Kazan Scientific Center of the Russian Academy of Sciences
Email: tatyanagr@gmail.com
Россия, 8 ul. Arbuzova, Kazan, 420088
Дополнительные файлы
