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Protocol for the Synthesis of Ortho-trifluoromethoxylated Aniline Derivatives

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Falloff Curves of the Reaction CF₃ (+M) → CF₂ + F (+M).

C J Cobos¹, G Knight², L Sölter³

¹INIFTA, Facultad de Ciencias Exactas, Universidad Nacional de La Plata , CONICET , Casilla de Correo 16, Sucursal 4 , La Plata 1900 , Argentina.

The Journal of Physical Chemistry. A

|January 25, 2020

Summary

The thermal dissociation of trifluoromethyl radicals (CF3) was investigated using shock waves. Rate constants were determined, providing insights into chemical kinetics at high temperatures.

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Area of Science:

Chemical Kinetics
Physical Chemistry
Reaction Dynamics

Background:

The thermal dissociation of trifluoromethyl radicals (CF3) is a key reaction in high-temperature chemistry.
Understanding this process is crucial for modeling combustion and atmospheric chemistry.

Purpose of the Study:

To experimentally determine the rate constants for the unimolecular dissociation of CF3 radicals.
To theoretically model the reaction to obtain full falloff curves.

Main Methods:

Shock wave experiments monitoring UV absorption of CF2 product.
Thermal decomposition of CF3I to generate CF3 radicals.
Theoretical modeling to construct complete reaction falloff curves.

Main Results:

Rate constants for CF3 dissociation were derived over a range of temperatures (1544-2106 K) and pressures.
Limiting low-pressure (k0) and high-pressure (k∞) rate constants were determined.
The influence of theoretical simplifications on experimental data representation was discussed.

Conclusions:

The study provides crucial kinetic data for the CF3 dissociation reaction.
The findings contribute to a better understanding of high-temperature chemical processes.
Accurate modeling of the reaction falloff is essential for its application in various fields.