About the authors
| First name, Middle name, Last name, Scientific degree, Scientific rank, Current position. Full and brief name of the organization, The organization address. | Furer Victor Lvovich doctor of chemical sciences, professor E-mail: This e-mail address is being protected from spambots. You need JavaScript enabled to view it Kazan State University of Architecture and Engineering The organization address: 420043, Russia, Kazan, Zelenaya st., 1 Kovalenko Valery Ignatievich doctor of chemical sciences, professor E-mail: This e-mail address is being protected from spambots. You need JavaScript enabled to view it A.E. Arbuzov Institute of Organic and Physical Chemistry, RAS The organization address: 420088, Russia, Kazan, Arbuzov st., 8 |
| Title of the article | Study of the vibrational spectra of dendrimer with terminal pyrazine groups |
| Abstract. | Problem statement. The aim of the work was to establish the structure of the G1 dendrimer by experimental study of the IR- and Raman-spectra and quantum chemical calculations. Our task was to analyze the dynamics of molecular associates formed by hydrogen bonds and to identify the characteristics of the constituent parts of the dendrimer: the core, the repeating units and the terminal groups by quantum chemical calculations. Results. The IR- and Raman-spectra of the first generation G1 dendrimer with terminal pyrazine groups were measured. The optimization of the structure and the study of vibrations are implemented for the G1 by quantum-chemical method. The calculated geometric parameters of the molecule are consistent with experiment. The concepts developed are important for establishing the relationship between the structure and dynamic properties of dendrimers. Conclusions. The significance of the results obtained for the construction industry consists in the fact that new nanomaterials have been obtained and investigated, which can be used to create paints and varnishes, electrically conductive nano-dyes, thermal insulation materials, and nano-concrete. The 1577 cm-1 line in the spectrum of Raman scattering caused by the stretching vibrations of C = N bonds is characteristic of repeating groups of the dendrimer. Amide groups show bands of 3393, 1675 cm-1 in the IR-spectrum. The classification of dendrimer oscillations has been performed. |
| Keywords. | phosphorus-containing dendrimers, IR-spectra, Raman-spectra, density functional theory. |
| For citations: | Furer V.L., Kovalenko V.I. Study of the vibrational spectra of dendrimer with terminal pyrazine groups // Izvestiya KGASU. 2019. №1(47) P.223-229. |
