CF4 and (H2O)n molecular сomplexes

A. A. Rodina; R. R. Valiev; A. V. Nikitin

doi:10.1117/12.2504338

13 December 2018 CF₄ and (H₂O)_n molecular complexes

A. A. Rodina, R. R. Valiev, A. V. Nikitin

Proceedings Volume 10833, 24th International Symposium on Atmospheric and Ocean Optics: Atmospheric Physics; 108330C (2018) https://doi.org/10.1117/12.2504338
Event: XXIV International Symposium, Atmospheric and Ocean Optics, Atmospheric Physics, 2018, Tomsk, Russian Federation

Abstract

Tetrafluoromethane (CF₄), also known as carbon tetrafluoride is a long lived greenhouse gas (PFC-14), with life time ~ 50000 years. Actually, CF₄ is an anthropogenic trace gas in the atmosphere. The main sources of this gas are high technology processes, such as aluminum production, semiconductor industry, or electrical and electronic engineering. CF₄ has a strong Global Warming potential due to its high lifetime in the Earth atmosphere. However, the tetrafluoride – water reaction is not well studied. CF₄ is considered to be a hydrophobic gas, but we proved that it forms stable molecular complexes with the binding energy exceeding E= 3.5 kcal/mol. Due to this molecular complex, at low temperatures, CF₄ molecules can be found in water or snow. We simulated the (H₂O)_n (n=3,4) and CF₄ molecular clusters using the DFT and MP2 techniques. Some stable configurations with positive frequencies of normal vibrations have been obtained.

Citation Download Citation

A. A. Rodina, R. R. Valiev, and A. V. Nikitin "CF₄ and (H₂O)_n molecular complexes", Proc. SPIE 10833, 24th International Symposium on Atmospheric and Ocean Optics: Atmospheric Physics, 108330C (13 December 2018); https://doi.org/10.1117/12.2504338

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