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The Thermal Dissociation-Recombination Reactions of SiF 4 , SiF 3 , and SiF 2 : A Shock Wave and Theoretical Modeling Study.

Carlos J CobosLars SölterElsa TellbachJuergen Troe
Published in: The journal of physical chemistry. A (2022)
Monitoring UV absorption signals of SiF 2 and SiF, the thermal dissociation reactions of SiF 4 and SiF 2 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 SiF 4 , SiF 3 , and SiF 2 and their reverse recombination reactions were determined over broad temperature and pressure ranges. A comparison of fluorosilicon and fluorocarbon chemistry was finally made.
Keyphrases
  • molecular dynamics
  • dna damage
  • dna repair
  • molecular dynamics simulations
  • electron transfer