Ab initio and RRKM studies of decomposition and interconversion pathways of ClCH₂OH and CH₃OCl isomeric species

EVANGELOS DROUGAS Department of Chemistry, University of Ioannina, 451 10, Greece

AGNIE M. KOSMAS Department of Chemistry, University of Ioannina, 451 10, Greece

MELANIE SCHNELL Institut für Physicalische und Theoretische Chemie der Universität Bonn, Wegelerstrasse 12, 53115, Bonn, Germany

MAX MÜHLHÄUSER Institut für Physicalische und Theoretische Chemie der Universität Bonn, Wegelerstrasse 12, 53115, Bonn, Germany

SIGRID D. PEYERIMHOFF Institut für Physicalische und Theoretische Chemie der Universität Bonn, Wegelerstrasse 12, 53115, Bonn, Germany

Abstract

The photofragmentation and photointerconversion pathways of the CH₃OCl and ClCH₂OH species are studied using quantum mechanical and RRKM theories. Ten possible channels are investigated in total and the relative importance of the various pathways in stratospheric photochemistry is discussed.

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Ab initio and RRKM studies of decomposition and interconversion pathways of ClCH₂OH and CH₃OCl isomeric species

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Ab initio and RRKM studies of decomposition and interconversion pathways of ClCH2OH and CH3OCl isomeric species

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Ab initio and RRKM studies of decomposition and interconversion pathways of ClCH₂OH and CH₃OCl isomeric species