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, 2020
Accessibility information
Author(s):   Parveen, S.; Chandra, A.K.
Title:   Theoretical Studies on Kinetics and Reactivity of the Gas-Phase Addition and H-Abstraction Reactions of Pyridine with Atomic Chlorine
Journal:   J. Phys. Chem. A
Volume:   113
Page(s):   177 - 183
Year:   2009
Reference type:   Journal article
Squib:   2009PAR/CHA177-183

Reaction:   Pyridine + ·Cl → pyridinyl radical (unspecified isomer) + HCl
Reaction order:   2
Temperature:   300 - 800 K
Rate expression:   9.37x10-11 [cm3/molecule s] e-19489 [J/mole]/RT
Category:  Theory
Data type:   Transition state theory
Pressure dependence:   Rate constant is pressure independent
Comments:   Reaction potential energy surface was studied using quantum chemistry and rate constants were calculated using transition state theory.

View full bibliographic record.

Rate constant values calculated from the Arrhenius expression:

T (K)k(T) [cm3/molecule s]
300 3.79E-14
350 1.16E-13
400 2.67E-13
450 5.12E-13
500 8.63E-13
550 1.32E-12
600 1.88E-12
650 2.54E-12
700 3.29E-12
750 4.12E-12
800 5.00E-12