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The Thermal Dissociation-Recombination Reactions of SiF4, SiF3, and SiF2: A Shock Wave and Theoretical Modeling Study
Carlos J Cobos1, Lars Sölter2,3, Elsa Tellbach2,3
1Facultad de Ciencias Exactas, Instituto de Investigaciones Fisicoquimícas Teóricas y Aplicadas (INIFTA-CONICET-UNLP) , Universidad Nacional de La Plata, B1900La Plata, Provincia de Buenos Aires, Argentina.
Abstract:
Monitoring UV absorption signals of SiF2 and SiF, the thermal dissociation reactions of SiF4 and SiF2 were studied in shock waves. Rationalizing the experimental observations by standard unimolecular rate theory in combination with quantum-chemical calculations of the reaction potentials, rate constants for the thermal dissociation reactions of SiF4, SiF3, and SiF2 and their reverse recombination reactions were determined over broad temperature and pressure ranges. A comparison of fluorosilicon and fluorocarbon chemistry was finally made.
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