ISSN:
1089-7690
Source:
AIP Digital Archive
Topics:
Physics
,
Chemistry and Pharmacology
Notes:
Vibrationally adiabatic distorted wave (VADW) calculations of product rotational distributions have been performed for the heavy+light–heavy atom reaction O(3P)+HR → OH(v', j')+R, where for v'=0, RH=neopentane=C(CH3)4, and for v'=1, RH=isobutane=(CH3)3CH. Extended London–Eyring–Polanyi–Sato potential energy surfaces are used, with R treated as a structureless particle. It is shown that plotting the rotational distributions against the rotational energy of OH (experimental and theoretical) is a better procedure than just using the rotational quantum number. Good agreement is obtained with experimental rotational distributions and with the results of quasiclassical trajectory calculations.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1063/1.450332
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