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Mohammad Solimannejad

Mohammad Solimannejad

Academic rank: Professor
ORCID: https://orcid.org/0000-0003-0617-8689
Education: PhD.
ScopusId: 6701740031
Faculty: Science
Address: Arak University
Phone:

Research

Title
Investigation of the formation of acid rain based on the sulfur tetroxide (SO4(C2v)) and OH radical reaction
Type
JournalPaper
Keywords
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Year
2012
Journal Structural Chemistry
DOI
Researchers Moein Goodarzi ، Morteza Vahedpour ، Mohammad Solimannejad

Abstract

The reaction pathways of sulfur tetroxide (SO4 (C2v)) with OH radical have been investigated at the MP2/6-31++G(d,p) and G3MP2B3 levels. The mechanism I (Transfer of O-atom and the dissociation of SOO ring) and II (Dissociation of SOO ring and transfer of O-atom) has been investigated for title reaction. Our calculations result shows that mechanism II is more feasible than mechanism I under ordinary conditions. The values of rate constant for mechanism II of the SO4 (C2v) + OH reaction are calculated at the temperature range of 200–1,400 K. These values clear that the importance of SO4 (C2v) + OH reaction through mechanism II increases with increasing temperature and, this reaction plays important role in formation of acid rain in high temperatures.