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):   Landera, A.; Krishtal, S.P.; Kislov, V.V.; Mebel, A.M.; Kaiser, R.I.
Title:   Theoretical study of the C6H3 potential energy surface and rate constants and product branching ratios of the C2H+C4H2 and C4H+C2H2 reactions
Journal:   J. Chem. Phys.
Volume:   128
Year:   2008
Reference type:   Journal article
Squib:   2008LAN/KRI214301

Reaction:   1,3-Butadiyne + ·C2H → Products
Reaction order:   2
Temperature:   63.00 - 298 K
Rate expression:   1.0x10-10 [cm3/molecule s]
Rate constant is a lower limit.
Category:  Theory
Data type:   Ab initio
Comments:   The C2H+C4H2 reaction rate constants calculated by employing canonical variational transition state theory are found to be similar to those for the related C2H+C2H2 reaction in the order of magnitude of 10−10 cm3 molecule−1 s−1 for T=298–63 K, and to show a negative temperature dependence at low T

View full bibliographic record.