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 Sciences Division

  NIST Logo Home
©NIST, 2013
Accessibility information
Author(s):   Gulvi, N.R.; Patel, P.; Badani, P.M.
Title:   Exploring unimolecular dissociation kinetics of ethyl dibromide through electronic structure calculations
Journal:   Chem. Phys.
Volume:   505
Page(s):   55 - 63
Year:   2018
Reference type:   Journal article
Squib:   2018GUL/PAT55-63

Reaction:   CH2BrCH2BrC2H4 + Br2
Reaction order:   2
Temperature:   298 - 1400 K
Rate expression:   no rate data available
Category:  Theory
Data type:   Transition state theory
Pressure dependence:   Rate constant is low pressure limit
Comments:   Reaction potential energy surface was studied using quantum chemistry and rate constants were calculated using statistical kinetic rate theory. Rate constants were calculated for a wide range of temperatures; however, no Arrhenius expressions are given for the k(T) dependences. Instead, rate constants at selected temperatures are presented in a tabular format.

View full bibliographic record.