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):   Yang, X.L.; Xu, G.; Chen, Y.; Chen, C.X.
Title:   Kinetic study on the reaction of HCF(X(1)A')+SO2
Journal:   Acta Chim. Sin.
Volume:   64
Page(s):   47 - 53
Year:   2006
Reference type:   Journal article
Squib:   2006YAN/XU47-53

Reaction:   HCF (X1Aprime) + SO2 → Products
Reaction order:   2
Temperature:   293 K
Rate expression:   7.9x10-12 [cm3/molecule s]
Category:  Experiment
Data type:   RRK(M) extrapolation
Pressure dependence:   Rate constant is high pressure limit
Comments:   HCF radicals were produced by laser photolysis of HCFBr2 at 213 nm and electronically excited with light at 492.70 nm. Ab initio calculations were used to construct the potential energy surface and indicate that the reaction follows an addition elimination mechanism. The calculations indicate that the lowest energy pathway leads to SO and fluoroformaldehyde.

An RRKM-TST model was constructed to calculate the pressure dependence. The reaction rate was calculated to decrease by about an order of magnitude between 300 and 900 K at 1 atm pressure, but no analytical rate expression was presented.

View full bibliographic record.