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Whitney ES, Zolot AM, McCoy AB, et al. Reactive scattering dynamics in atom+polyatomic systems: F+C2H6-->HF(v,J)+C2H5. J Chem Phys. 2005;122(12):124310doi: 10.1063/1.1868553.
Whitney, E. S., Zolot, A. M., McCoy, A. B., Francisco, J. S., & Nesbitt, D. J. (2005). Reactive scattering dynamics in atom+polyatomic systems: F+C2H6-->HF(v,J)+C2H5. The Journal of chemical physics, 122(12), 124310. https://doi.org/10.1063/1.1868553
Whitney, Erin S, et al. "Reactive scattering dynamics in atom+polyatomic systems: F+C2H6-->HF(v,J)+C2H5." The Journal of chemical physics vol. 122,12 (2005): 124310. doi: https://doi.org/10.1063/1.1868553
Whitney ES, Zolot AM, McCoy AB, Francisco JS, Nesbitt DJ. Reactive scattering dynamics in atom+polyatomic systems: F+C2H6-->HF(v,J)+C2H5. J Chem Phys. 2005 Mar 22;122(12):124310. doi: 10.1063/1.1868553. PMID: 15836381.
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J Chem Phys. 2005 Mar 22;122(12):124310. doi: 10.1063/1.1868553.

Reactive scattering dynamics in atom+polyatomic systems: F+C2H6-->HF(v,J)+C2H5.

The Journal of chemical physics

Erin S Whitney, Alexander M Zolot, Anne B McCoy, Joseph S Francisco, David J Nesbitt

Affiliations

  1. JILA, National Institute of Standards and Technology and University of Colorado, Boulder, Colorado 80309-0440, USA.

PMID: 15836381 DOI: 10.1063/1.1868553

Abstract

State-to-state scattering dynamics of F+C2H6-->HF(v,J)+C2H5 have been investigated at Ecom=3.2(6) kcalmol under single-collision conditions, via detection of nascent rovibrationally resolved HF(v,J) product states with high-resolution infrared laser absorption methods. State-resolved Doppler absorption profiles are recorded for multiple HF(v,J) transitions originating in the v=0,1,2,3 manifold, analyzed to yield absolute column-integrated densities via known HF transition moments, and converted into nascent probabilities via density-to-flux analysis. The spectral resolution of the probe laser also permits Doppler study of translational energy release into quantum-state-resolved HF fragments, which reveals a remarkable linear correlation between (i) HF(v,J) translational recoil and (ii) the remaining energy available, Eavail=Etot-E(HF(v,J)). The dynamics are interpreted in the context of a simple impulsive model based on conservation of linearangular momentum that yields predictions in good agreement with experiment. Deviations from the model indicate only minor excitation of ethyl vibrations, in contrast with a picture of extensive intramolecular vibrational energy flow but consistent with Franck-Condon excitation of the methylene CH2 bending mode. The results suggest a relatively simple dynamical picture for exothermic atom+polyatomic scattering, i.e., that of early barrier dynamics in atom+diatom systems but modified by impulsive recoil coupling at the transition state between translationalrotational degrees of freedom.

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