New issues - Известия Казанского государственного архитектурно-строительного университета.

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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 Email: 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 Email: 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 articleNon-shrinking fluoroanhydrite compositions for flooring
Abstract.Problem statement. The purpose of the article was to study the structure of new electrochromic building materials, including the core (NP)3, viologen units, and terminal phosphonate groups, by recording IR and Raman spectra with subsequent quantum-chemical calculations. The possibilities of the practical application of electrochromic building materials have not yet been fully explored. Therefore, the study of the properties of molecular stars and the establishment of their relationship with the structure of the molecules are important. Results. The main results of the research are that the structure and vibrational spectra of new electrochromic building materials have been studied. The main regularities in the structure of molecular stars have been established. Geometric optimization and calculation of spectra were carried out for G3 in the framework of DFT. It turned out that G3 has an almost flat core and repeating hydrazone units. Interpretation of the IR and Raman spectra of the molecule has been carried out. The similarity of the vibrational spectra of stars of different generations testifies to the similarity of their molecular structure. For the first time, using IR and Raman differential spectroscopy the effects of the influence of the electronic environment on the frequencies and intensities of the bands have been discovered. Conclusions. The value of the work for construction lies in the fact that new building electrochromic materials have been synthesized and studied, which are used to control the passage of light through windows. The spectral properties of molecular stars (the intensity and width of the IR and Raman bands), determined by the ratio of terminal groups and repeating units, differ most strongly for the first three to four generations of phosphororganic stars. In order to interpret the vibrational spectra of molecular stars, it is necessary to carry out calculations of model molecules representing fragments of stellar molecules.
Keywords.electrochromic building materials, stars, infrared spectra, Raman spectra, normal vibrations, quantum chemistry.
For citations:Furer V. L., Kovalenko V. I. Study of IR- and Raman-spectra of new electrochromic building materials, including viologen and phosphorus units // Izvestija KGASU. 2021. № 1 (55). Р. 39–48. DOI: 10.52409/20731523_2021_1_39.


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