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

Autor:	Cobos CJ; Facultad 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., Sölter L; Institut für Physikalische Chemie, Universität Göttingen, Tammannstrasse 6, D-37077Göttingen, Germany.; Max-Planck-Institut für Multidisziplinäre Chemie, Am Fassberg 11, D-37077Göttingen, Germany., Tellbach E; Institut für Physikalische Chemie, Universität Göttingen, Tammannstrasse 6, D-37077Göttingen, Germany.; Max-Planck-Institut für Multidisziplinäre Chemie, Am Fassberg 11, D-37077Göttingen, Germany., Troe J; Institut für Physikalische Chemie, Universität Göttingen, Tammannstrasse 6, D-37077Göttingen, Germany.; Max-Planck-Institut für Multidisziplinäre Chemie, Am Fassberg 11, D-37077Göttingen, Germany.
Jazyk:	angličtina
Zdroj:	The journal of physical chemistry. A [J Phys Chem A] 2022 Dec 01; Vol. 126 (47), pp. 8871-8877. Date of Electronic Publication: 2022 Nov 18.
DOI:	10.1021/acs.jpca.2c06529
Abstrakt:	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.
Databáze:	MEDLINE
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