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Author(s):   Murakami, Y.; Onishi, S.; Kobayashi, T.; Fujii, N.; Isshiki, N.; Tsuchiya, K.; Tezaki, A.; Matsui, H.
Title:   High temperature reaction of S+SO2 -> SO+SO: Implication of S2O2 intermediate complex formation
Journal:   J. Phys. Chem. A
Volume:   107
Page(s):   10996 - 11000
Year:   2003
Reference type:   Journal article
Squib:   2003MUR/ONI10996-11000

Reaction:   SO2 + SSO + SO
Reaction order:   2
Temperature:   1120 - 2800 K
Pressure:  1.32 - 1.42 bar
Rate expression:   3.83x10-20 [cm3/molecule s] (T/298 K)8.21 e40146 [J/mole]/RT
Bath gas:   Ar
Category:  Theory
Data type:   Transition state theory
Pressure dependence:   None reported
Experimental procedure:   Shock tube
Excitation technique:   Flash photolysis (laser or conventional)
Time resolution:   In real time
Analytical technique:   Other (Vis-UV)
Comments:   The authors employed two different shock tube systems to study the reaction. S atoms were generated by the thermal decomposition of COS in studies at 2020-2800 K and by laser photolysis of COS for T = 1120-1540 K. Rates were determined using Atomic Resonsance Absorbtion Spectroscopy (ARAS) to monitor S atom decay in an excess of SO2. A potential energy diagram of the S + SO2 system was calculated at the G2M(CC1)//B3LYP/aug-cc-pVTZ+1 level and transition-state theory was used to extrapolate the results over the full temperature range. The authors discuss the mechanism and compare their results with a previous study.

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Rate constant values calculated from the Arrhenius expression:

T (K)k(T) [cm3/molecule s]
1120 1.50E-13
1200 1.98E-13
1300 2.81E-13
1400 3.95E-13
1500 5.54E-13
1600 7.69E-13
1700 1.06E-12
1800 1.45E-12
1900 1.96E-12
2000 2.63E-12
2100 3.50E-12
2200 4.61E-12
2300 6.04E-12
2400 7.85E-12
2500 1.01E-11
2600 1.30E-11
2700 1.65E-11
2800 2.09E-11