A Study of Electronic Structure of Diethyldiphenylsilane by X-Ray Emission Spectroscopy and Density Functional Theory Methods
| Dublin Core | PKP Metadata Items | Metadata for this Document | |
| 1. | Title | Title of document | A Study of Electronic Structure of Diethyldiphenylsilane by X-Ray Emission Spectroscopy and Density Functional Theory Methods |
| 2. | Creator | Author's name, affiliation, country | T. N. Danilenko; Research Institute of Physics; Russian Federation |
| 2. | Creator | Author's name, affiliation, country | M. M. Tatevosyan; Research Institute of Physics; Russian Federation |
| 2. | Creator | Author's name, affiliation, country | V. G. Vlasenko; Research Institute of Physics; Russian Federation |
| 3. | Subject | Discipline(s) | |
| 3. | Subject | Keyword(s) | organosilicon compounds; ethynylphenylsilanes; electronic structure; X-ray emission spectroscopy; density functional theory |
| 4. | Description | Abstract | X-Ray spectroscopy and DFT study of the electronic structure and chemical bonds of the silicon atom and its surrounding in the molecule of (HC=C)2SiPh2 has been performed. The X-ray emission Si Kβ1 spectrum has been registered and the electronic structure of diethynyldiphenylsilane and C2H2 has been simulated. The valence bands electronic states density distribution for the silicon atom and the carbon atoms of the phenyl and ethynyl groups has been obtained. The theoretical results are in good agreement with the experimental ones, allowing detailed description of the mechanism of the electronic structure formation of the valence bond in (HC≡C)2SiPh2. |
| 5. | Publisher | Organizing agency, location | Pleiades Publishing, Ltd. |
| 6. | Contributor | Sponsor(s) | |
| 7. | Date | (DD-MM-YYYY) | 01.11.2019 |
| 8. | Type | Status & genre | Peer-reviewed Article |
| 8. | Type | Type | Research Article |
| 9. | Format | File format | |
| 10. | Identifier | Uniform Resource Identifier | https://bakhtiniada.ru/1070-3632/article/view/223156 |
| 10. | Identifier | Digital Object Identifier (DOI) | 10.1134/S1070363219110100 |
| 11. | Source | Title; vol., no. (year) | Russian Journal of General Chemistry; Vol 89, No 11 (2019) |
| 12. | Language | English=en | |
| 13. | Relation | Supp. Files | |
| 14. | Coverage | Geo-spatial location, chronological period, research sample (gender, age, etc.) | |
| 15. | Rights | Copyright and permissions |
Copyright (c) 2019 Pleiades Publishing, Ltd. |