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Zawartość zarchiwizowana w dniu 2022-12-23

Novel noble gas compounds: synthesis, structure and prospective applications

Cel

This proposal deals with novel noble gas hydrides of general formula HNgY (Ng = noble gas) that have attracted considerable interest in the past decade. The first Ar containing molecule HArF has this structure and a number of organic molecules of this kind have been recently identified. According to the theoretical estimates, more complex molecules and even macromolecules with incorporated noble gas atoms may also exist. Furthermore, at least some of them could be stable under standard conditions, although it was not yet proved experimentally. In addition to hydrides produced by reactions of mobile H atoms, it is planned to study novel compounds resulting from reactions of mobile F and O atoms. The main objectives of this project are to learn more about the formation mechanism, structure and properties of the novel noble gas molecules, the nature of their chemical bonding, criteria of their stability. On the basis of these data it is planned to evaluate the prospective applications of novel compounds. Research activity is planned in the following directions: 1. Experimental and theoretical studies on the formation mechanism of novel noble gas compounds. 2. Molecular spectroscopy and structure of novel noble gas compounds. 3. Synthesis and structure of open-shell systems (noble gas containing radicals). 4. Synthesis of complex organic molecules with incorporated noble gas atoms: from theoretical prediction to experimental verification (including attempts to obtain the species with argon-carbon bond). 5. Studies of association and chemical reactions of novel noble gas molecules: from matrix isolation to practical applications. The proposal is based on modern experimental and theoretical approaches and techniques exploiting unique joint potential of this project consortium. The most important features of the planned collaborative efforts are as follows: (a) Combination of different generation techniques (photolysis, fast electron irradiation and X-ray irradiation) in order to produce reactive atoms for matrix synthesis of novel noble-gas compounds (b) Combination of different spectroscopic methods, mainly FTIR and EPR spectroscopy, to characterize all stages of the formation of novel noble gas molecules and to determine their spectroscopic parameters . (c) Extensive use of the modern computational methods taking into account the most important problems of theoretical description of noble-gas compounds (relativistic effects for xenon and krypton atoms, strong anharmonicity, large medium effects, etc.). It is expected that results obtained in this project will make it possible to evaluate future prospects of applications of novel compounds as "energy containers", spectroscopic probes, catalysts and reagents for organic synthesis. Also, they may shed light on "xenon puzzles", including the mechanism of anesthetic effect of xenon, problem of "missing xenon" bound in crust and possibility of xenon catalysis in organic reactions.

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Koordynator

UNIVERSITY OF HELSINKI
Wkład UE
Brak danych
Adres
A. I. VIRTASEN AUKIO, 1
HELSINKI
Finlandia

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Koszt całkowity
Brak danych

Uczestnicy (3)