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TOMSK, Aug 2 – RIA Tomsk. Scientists of Tomsk State University (TSU) together with colleagues from National Center for Scientific Research (CNRS) made break in understanding of quantum mechanisms of transformations of oxygen isotopes in formation of ozone molecules; results are referred to number of "considerable scientific achievements", the press service of TSU reports.
It is specified that scientists of the whole world tried to find explanations for the experimental measurements more than 20 years not consistent with theoretical models of formation of ozone molecules. The key to understanding was found thanks to a new surface of potential energy of the ozone molecule, which was earlier constructed by Russian authors according to original researches of molecular electronic structure.
"The theory has for the first time allowed to explain speeds of reactions of isotopic exchange depending on temperature in full consent with the experiment. Reactions of exchanges of light and heavy isotopes of oxygen 16O and 18O play a key role in global process of ozone formation, but all attempts of their theoretical modeling led to high-quality disagreements with experiments – or in temperature dependence, or in absolute values. This result has fundamental value", – one of the authors of the project Roman Kochanov is quoted.
It is explained that the result received by physics is based on exact quantum calculation of molecular dynamics of process in which atoms pass through metastable resonant conditions of ozone with the subsequent its disintegration. Earlier it was considered that the surface of potential energy of ozone has a pronounced barrier ("reef structure") on a trajectory of disintegration of a molecule. Modern supercomputer calculations revealed lack of this barrier.
"Measurements of atmospheric distribution of ozone and its long-term changes is a crucial step in understanding of interrelation of variability of ozone and climate change... Results of a new research give the chance to better predict processes of ozone formation which depending on height of layers in the atmosphere can protect the biosphere of Earth or create environmental problems", – it is emphasized in the message.
Article with results of the researches is published in the high-rating magazine The Journal Physical Chemistry Letters. The French center CNRS has included this publication in number of considerable scientific achievements.