Determination of the Concentrations of CF2 and CF3 Radicals in an Argon Matrix: An Illustration Using Predicted Infrared Intensities

Abstract

A novel procedure is described for the determination of concentrations of CF₂ and CF₃ radicals from the infrared spectrum using predicted values for the absolute integrated molar absorption coefficients. The predictions were made using an F-atom polar tensor transferred from CH₃F according to procedures described earlier. These predicted intensities are used to calculate a simulated spectrum, adjusting the values assumed for the concentrations of CF₄, CF₃, and CF₂ until agreement is obtained with the experimental spectrum obtained by Milligan and Jacox from a sample of CF₂N₂ photolyzed in an argon matrix in the presence of an added F-atom source. This procedure illustrates an analytical application of predicted infrared intensities that may also be important for other unstable species.