Application of density functional theory and optical spectroscopy for the prediction of the photophysical properties of Р-pyridylphospholanes
- Авторлар: Gerasimova T.1, Shamsieva A.1, Strelnik I.1, Katsyuba S.1, Musina E.1, Karasik A.1, Sinyashin O.1
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Мекемелер:
- A. E. Arbuzov Institute of Organic and Physical Chemistry, Federal Research Center” “Kazan Scientific Center of the Russian Academy of Sciences
- Шығарылым: Том 68, № 2 (2019)
- Беттер: 254-261
- Бөлім: Full Articles
- URL: https://journals.rcsi.science/1066-5285/article/view/243241
- DOI: https://doi.org/10.1007/s11172-019-2380-z
- ID: 243241
Дәйексөз келтіру
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.
Авторлар туралы
T. Gerasimova
A. E. Arbuzov Institute of Organic and Physical Chemistry, Federal Research Center” “Kazan Scientific Center of the Russian Academy of Sciences
Хат алмасуға жауапты Автор.
Email: tatyanagr@gmail.com
Ресей, 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
Ресей, 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
Ресей, 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
Ресей, 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
Ресей, 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
Ресей, 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
Ресей, 8 ul. Arbuzova, Kazan, 420088