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 | Spectroscopic study of the complexation of gold with a phosphorus-containing dendrimer |
| Abstract. | Problem statement. This article discusses the interaction of phosphorus dendrimer with gold by experimental research on IR and Raman spectra and quantum-chemical calculations. It was necessary to explain why stable complexes are formed with the P=N?P=S link, whereas this does not occur with the isolated P=S bond. Results. A change in the geometrical parameters and a delocalization of the electric charge under the influence of gold have been detected. The bands in the experimental vibrational spectra of the dendrimer and its complex are classified. Conclusions. The significance of the results obtained for the construction industry lies in the fact that new nanomaterials that can be used to create paints and varnishes, electrically conductive nano-paints, heat-insulating materials, and nano-concrete are obtained and investigated. The HOMO of the dendrimer molecule is located on the P=N?P=S link, while the LUMO is located on the terminal group. Substantial delocalization of the charge occurs in the P=N?P=S link, which results in a change in the reactivity of this group. The interaction energy and electron affinity for AuCl are higher than for the dendrimer. Therefore, with the formation of the complex, these values increase. The chemical potential and the electrophilicity index in the complex also increase. |
| Keywords. | dendrimer, infrared spectra, Raman spectra, normal vibrations, quantum chemistry. |
| For citations: | Furer V.L., Kovalenko V.I. Spectroscopic study of the complexation of gold with a phosphorus-containing dendrimer // Izvestiya KGASU. 2020. №1() P.154-. |
