Dynamics of CN+alkane reactions by crossed-beam dc slice imaging

J Chem Phys. 2008 Aug 21;129(7):074301. doi: 10.1063/1.2968547.

Abstract

The hydrogen atom abstraction reactions of CN (X (2)Sigma(+)) with alkanes have been studied using the crossed molecular beam technique with dc slice ion imaging at collision energies of 7.5 and 10.8 kcalmol. The product alkyl radical images were obtained via single photon ionization at 157 nm for the reactions of CN (X (2)Sigma(+)) with n-butane, n-pentane, n-hexane, and cyclohexane. From analysis of the images, we obtained the center-of-mass frame product angular distributions and translational energy distributions directly. The results indicate that the products are largely backscattered and that most of the available energy ( approximately 80%-85%) goes to the internal energy of the products. The reaction dynamics is discussed in light of recent kinetics data, theoretical calculations, and results for related halogen and oxygen atom reactions.

MeSH terms

  • Alkanes / chemistry*
  • Computer Simulation
  • Free Radicals / chemistry
  • Kinetics
  • Models, Chemical
  • Nitriles / chemistry*
  • Quantum Theory
  • Spectrum Analysis
  • Vibration

Substances

  • Alkanes
  • Free Radicals
  • Nitriles