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Author(s):   Rudic, S.; Murray, C.; Ascenzi, D.; Anderson, H.; Harvey, J. N.; Orr-Ewing, A.J.
Title:   The Dynamics of Formation of HCl Products from the Reaction of Cl Atoms with Methanol, Ethanol, and Dimethyl Ether
Journal:   J. Chem. Phys.
Volume:   117
Page(s):   5692 - 5706
Year:   2002
Reference type:   Journal article
Squib:   2002RUD/MUR5692-5706

Reaction:   Cl(2P3/2) + CH3OH → Products + HCl
Reaction order:   2
Rate expression:   no rate data available
Category:  Experiment
Data type:   Data too complex to abstract
Experimental procedure:   Molecular beam
Excitation technique:   Flash photolysis (laser or conventional)
Time resolution:   In real time
Analytical technique:   Other (direct)
Comments:   The dynamics of ground state Cl(2P3/2) atom reactions with methanol, methanol-d1 , ethanol, and dimethyl ether were studied both experimentally and theoretically. The rotational quantum state population distributions of the nascent HCl(?u?) products were probed by 2+1 resonance-enhanced multiphoton ionization in a time-of-flight mass spectrometer. Nascent HCl(?u?=0) reaction products at mean collision energies in the range of 5.6-6.7 kcal/mol, exhibit distributions of population over rotational levels that all peak at J?3-5. The average rotational energies of the HCl(?u?=0) products for the respective reactions were determined. The results are interpreted with the help of ab initio calculation results. The degree of rotational excitation of the HCl, which is significantly greater than for Cl atom abstraction of an H atom from alkanes, is attributed to a dipole?ipole interaction between the HCl and RCHOR?(R, R?= H or CH3) moieties in the products?region of the potential energy surface.

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