Kinetics Database Logo

Kinetics Database Resources

Simple Reaction Search

Search Reaction Database

Search Bibliographic Database

Set Unit Preferences

Feedback

Rate Our Products and Services

Help


Other Databases

NIST Standard Reference Data Program

NIST Chemistry Web Book

NDRL-NIST Solution Kinetics Database

NIST Computational Chemistry Comparison and Benchmark Database

The NIST Reference on Constants, Units, and Uncertainty

More...


Administrative Links

NIST home page

MML home page

Chemical and Biochemical Reference Data Division

MML home page

Chemical and Biochemical Reference Data Division

  NIST Logo Home
©NIST, 2013
Accessibility information
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.

View full bibliographic record.


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