Literature DB >> 17887849

Quantum state resolved scattering dynamics of F+HCl-->HF(v,J)+Cl.

A M Zolot1, D J Nesbitt.   

Abstract

State-to-state reaction dynamics of the reaction F+HCl-->HF(v,J)+Cl have been studied under single-collision conditions using an intense discharge F atom source in crossed supersonic molecular beams at Ecom=4.3(1.3) kcal/mol. Nascent HF product is monitored by shot-noise limited direct infrared laser absorption, providing quantum state distributions as well as additional information on kinetic energy release from high resolution Dopplerimetry. The vibrational distributions are highly inverted, with 34(4)%, 44(2)%, and 8(1)% of the total population in vHF=1, 2, and 3, respectively, consistent with predominant energy release into the newly formed bond. However, there is a small [14(1)%] but significant formation channel into the vHF=0 ground state, which is directly detectable for the first time via direct absorption methods. Of particular dynamical interest, both the HF(v=2,J) and HF(v=1,J) populations exhibit strongly bimodal J distributions. These results differ significantly from previous flow and arrested-relaxation studies and may signal the presence of microscopic branching in the reaction dynamics.

Entities:  

Year:  2007        PMID: 17887849     DOI: 10.1063/1.2770464

Source DB:  PubMed          Journal:  J Chem Phys        ISSN: 0021-9606            Impact factor:   3.488


  2 in total

1.  Accurate quantum wave packet calculations for the F + HCl → Cl + HF reaction on the ground 1(2)A' potential energy surface.

Authors:  Niyazi Bulut; Jacek Kłos; Millard H Alexander
Journal:  J Chem Phys       Date:  2012-03-14       Impact factor: 3.488

2.  Product rotational angular momentum polarization of H+FCl (v=0-5; j=0, 3, 6, 9) → HF+Cl and HCl+F at Erel=0.5-20 kcal mol(-1).

Authors:  Victor Wei-Keh Chao Wu
Journal:  J Mol Model       Date:  2015-11-12       Impact factor: 1.810

  2 in total

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