Title of article :
A theoretical study of the reactions of carbonyl oxide with water in atmosphere: the role of water dimer
Author/Authors :
Ryzhkov، نويسنده , , Andrew B. and Ariya، نويسنده , , Parisa A. Ariya، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2003
Pages :
7
From page :
423
To page :
429
Abstract :
Carbonyl oxide is a well-known intermediate formed in gas-phase reactions of ozone with alkenes. Secondary reactions of carbonyl oxide are suggested to lead to the formation of HO, H2O2 and organic peroxides in the atmosphere. We performed a theoretical study of reactions of carbonyl oxide with water and a water dimer. Using CCSD(T)/6-311+G(2d,2p)//B3LYP/6-311+G(2d,2p) calculations we found that the most energetically favourable channel is the formation of hydroxymethyl hydroperoxide (HMHP) as the result of reactions of carbonyl oxide with the water dimer. The potential importance of water dimer reactions in the chemistry of the troposphere is discussed herein.
Journal title :
Chemical Physics Letters
Serial Year :
2003
Journal title :
Chemical Physics Letters
Record number :
1782580
Link To Document :
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