- Molecular aspects of cold radiation induced evolution of astrochemical systems (2021-2023)
- Mechanisms of radiation induced transformations of difluoromethane isolated molecules and complexes (2020 – 2022)
- Mechanisms of radiation induced degradation and synthesis of aromatic molecules in cryogenic matrices (2020 – 2022)
Molecular aspects of cold radiation induced evolution of astrochemical systems (2021-2023)
Supported by Russian Science FoundationПроект выполняется при поддержке Российского Научного Фонда
(grant # 21-13-00195)
Project leader – D.Sci., Prof. Vladimir I. Feldman
Participants of the project: PhD Sanochkina E.V., PhD Turin D.A., PhD Shiryaeva E.S, Volosatova A.D, Drabkin V.D, Zasimov P.V, Lukianova M.A., Sosulin I.S.
Annotation
The project is aimed at solving one of the key problems of natural science related to the substantiation of the mechanisms of the molecular evolution of matter in outer space. The specific task is to experimentally model the mechanism of formation and decomposition of a number of organic molecules under the action of ionizing radiation at cryogenic temperatures. It is assumed that the synthesis strategies used will make it possible to achieve significant progress in understanding the mechanisms of formation of “life molecules”, as well as advance in understanding the mechanisms of formation of aromatic structures in the interstellar medium.
Mechanisms of radiation induced transformations of difluoromethane isolated molecules and complexes (2020 – 2022)
Supported by Russian Foundation of Basic Research
(grant # 20-33-90179)
Project leader – D.Sci., Prof. Vladimir I. Feldman
Participant of the project: Sosulin I.S.
Annotation
The project is aimed at a systematic experimental and theoretical study of the radiation-chemical transformations of difluoromethane and its intermolecular complexes in solid noble gas matrices. Difluoromethane belongs to the class of fluorinated hydrocarbons considered as promising alternative refrigerants. The emission of this compound into the atmosphere has been steadily increasing in recent years, and its transformations under the influence of radiation are of potential interest from an ecological point of view. During the implementation of the project, it is expected to obtain information on the mechanisms of radiation-chemical transformations of difluoromethane under the conditions of a model experiment on matrix isolation, spectroscopic characteristics of various types of intermediates, and the kinetics of their formation and death. In addition, the spectroscopic characteristics and radiation-chemical behavior of intermolecular complexes of difluoromethane in low-temperature matrices will be studied for the first time. This will make it possible to obtain information on the influence of weak intermolecular interactions on radiation-chemical processes, which is of interest from the point of view of fundamental aspects of radiation chemistry. To accomplish the tasks set, an original technique and equipment will be used to study the radiation-chemical transformations of isolated molecules and complexes in matrices that occur under the action of X-ray radiation with an effective energy of about 20 keV at a temperature of 6 K. To detect products and intermediates, as well as to study intermolecular interactions Fourier transform IR spectroscopy will be used in the complexes. Quantum-chemical calculations at the level of MP2 and CCSD(T) will be used to assign the vibrational spectra of radiolysis products and determine the spectroscopic and energy characteristics of the complexes under study. The results obtained will be of fundamental interest for radiation chemistry, the chemistry of the upper layers of the atmosphere, as well as molecular spectroscopy and the theory of non-covalent interactions.
Mechanisms of radiation induced degradation and synthesis of aromatic molecules in cryogenic matrices (2020 – 2022)
Supported by Russian Foundation of Basic Research
(grant # 20-33-90180)
Project leader – D.Sci., Prof. Vladimir I. Feldman
Participant of the project: Lukianova M.A.
Annotation
This project aims at model studies of the mechanisms of the radiation-induced evolution of aromatic hydrocarbon molecules in inert media at cryogenic temperatures. Aromatic hydrocarbons are usually considered as radiation resistant compounds, which is typically associated with the peculiarities of their molecular structure. However, recently we demonstrated that the radiation sensitivity of isolated benzene molecules is actually dependent of physical properties of the environment. In the frame of this project, it is planned to carry out the first study of the role of chemical structures and environment impact on the efficiency and routes of the primary radiation-induced transformations for a series of simple benzene derivatives under the conditions completely excluding diffusion and secondary reactions. The second direction of this project is concerned with the investigation of possible mechanisms of the radiation-induced assembling of aromatic hydrocarbons from associates of C2 and C4 simple molecules in connection with simulation of the “cold” synthesis of polycyclic aromatic hydrocarbons (PAH) and other aromatic structures detected in space. Experimentally the project is based on using matrix isolation with registration of the products and intermediates of the radiolysis using a combination of IR and EPR spectroscopy at 6 K. Application of this approach will make it possible to obtain direct information on the structure and interconversions of radical, radical ionic and molecular products of radiolysis of the studied isolated molecules and complexes. Variation of physical characteristics of inert matrix (ionization potential, polarizability) will allow us to judge on the mechanisms of environment effect on the efficiency and routes of the radiation-induced processes. The expected results are of considerable interest from the points of view of fundamental radiation chemistry and laboratory astrochemistry.