An X-ray spectral and theoretical study of the electronic structure and features of interatomic interactions in phenoxysilanes
- Авторлар: Danilenko T.1, Tatevosyan M.1, Vlasenko V.1
-
Мекемелер:
- Research Institute of Physics
- Шығарылым: Том 86, № 10 (2016)
- Беттер: 2344-2349
- Бөлім: Article
- URL: https://journals.rcsi.science/1070-3632/article/view/216372
- DOI: https://doi.org/10.1134/S1070363216100169
- ID: 216372
Дәйексөз келтіру
Аннотация
The electronic structure and features of interatomic interactions providing the Si–O–C6H5 bonds in H4-nSi(OC6H5)n (n = 1–4) were studied by a combined analysis of the X-ray emission and photoelectron spectroscopic data and the results of quantum-chemical calculations. Theoretical calculations were carried out using the density functional theory. The distributions of the density of states were constructed, the correlation energy diagrams were presented, and the main types of interatomic interactions in phenoxysilanes were revealed.
Авторлар туралы
T. Danilenko
Research Institute of Physics
Хат алмасуға жауапты Автор.
Email: tdanil1982@yandex.ru
Ресей, pr. Stachki 194, Rostov-on-Don, 344090
M. Tatevosyan
Research Institute of Physics
Email: tdanil1982@yandex.ru
Ресей, pr. Stachki 194, Rostov-on-Don, 344090
V. Vlasenko
Research Institute of Physics
Email: tdanil1982@yandex.ru
Ресей, pr. Stachki 194, Rostov-on-Don, 344090
![](/img/style/loading.gif)