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Accurate thermochemical calculations for fluoroethyl radicals – running

Since the 1990s hydrofluorocarbons have been widely used as
refrigerants, foam blowing agents or propellant gases as replacements
for ozone depleting chlorofluorocarbons. However, their global warming
potential is considerable because of their long lifetime. The precise
knowledge of the thermodynamic quantities of these molecules is
important for the so-called chemistry-climate models to provide better
prediction about the chemical processes in the atmosphere. The goal of the project is to study, with the help of high level ab initio protocols,
the following fluoroethyl radicals: CH3-CHF, CH2F-CH2, CH3-CF2,
CH2F-CHF. CHF2-CH2, CF3-CH2, CF3-CHF, CF3-CF2.

Project owner:
Dr. Csontos József (Fizikai Kémia és Anyagtudományi Tanszék)
Members:
Fizikai Kémia és Anyagtudományi Tanszék (VBK-FKAT)