Kinetics Database Logo

Kinetics Database Resources

Simple Reaction Search

Search Reaction Database

Search Bibliographic Database

Set Unit Preferences


Rate Our Products and Services


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


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):   Zhu, R.S.; Lin, M.C.
Title:   Ab initio studies of ClOx reactions. VII. Isomers of Cl2O3 and their roles in the ClO plus OClO reaction
Journal:   J. Chem. Phys.
Volume:   118
Page(s):   8645 - 8655
Year:   2003
Reference type:   Journal article
Squib:   2003ZHU/LIN8645-8655

Reaction:   ClO + OClOClOO + ClO
Reaction order:   2
Temperature:   500 - 2500 K
Rate expression:   1.0x10-22 [cm3/molecule s] (T/298 K)2.80 e-649 [J/mole]/RT
Category:  Theory
Data type:   Transition state theory
Comments:   Rate equation derived using energies and transition states obtained with ab initio results at the B3LYP/6-31+G(3df) level.

View full bibliographic record.

Rate constant values calculated from the Arrhenius expression:

T (K)k(T) [cm3/molecule s]
500 3.64E-22
600 6.23E-22
700 9.77E-22
800 1.44E-21
900 2.03E-21
1000 2.74E-21
1100 3.61E-21
1200 4.63E-21
1300 5.82E-21
1400 7.20E-21
1500 8.76E-21
1600 1.05E-20
1700 1.25E-20
1800 1.47E-20
1900 1.72E-20
2000 1.99E-20
2100 2.28E-20
2200 2.60E-20
2300 2.95E-20
2400 3.33E-20
2500 3.74E-20