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):   Yamada, T.; El-Sinawi, A.; Siraj, M.; Taylor, P.H.; Peng, J.; Hu, X.; Marshall, P.
Title:   Rate Coefficients and Mechanistic Analysis for the Reaction of Hydroxyl Radicals with 1,1-Dichloroethylene and trans-1,2-Dichloroethylene over an Extended Temperature Range
Journal:   J. Phys. Chem. A
Volume:   105
Page(s):   7588 - 7607
Year:   2001
Reference type:   Journal article
Squib:   2001YAM/ELS7588-7607

Reaction:   CH2=CCl2 + ·OH → Products
Reaction order:   2
Temperature:   300 - 1000 K
Pressure:  1.01E-3 - 1.01 bar
Rate expression:   no rate data available
Category:  Theory
Data type:   Transition state theory
Comments:   Reaction potential energy surface was studied using quantum chemistry and rate constants were calculated using variational transition state theory and the QRRK method. Rate constants were calculated for a wide ranges of temperatures and pressures; however, no analytical expressions for these depndences are given. Instead, rate constants are presented in a graphical format.

View full bibliographic record.