Energy transfer as a function of collision energy. IV. State‐to‐state cross sections for rotational‐to‐translational energy transfer in HF+Ne, Ar, and Kr

1982 ◽  
Vol 76 (2) ◽  
pp. 913-930 ◽  
Author(s):  
J. A. Barnes ◽  
M. Keil ◽  
R. E. Kutina ◽  
J. C. Polanyi
1987 ◽  
Vol 42 (7) ◽  
pp. 731-734 ◽  
Author(s):  
Aristophanes Metropoulos

We have computed rotational energy transfer differential and state-to-state integral quasiclassical cross sections for the He - N2 system at 27.3 meV. By comparing these differential cross sections to close coupling ones, the accuracy of the quasiclassical approximation at such a low collision energy has been assessed as satisfactory.


Author(s):  
R.D. Leapman ◽  
P. Rez ◽  
D.F. Mayers

Microanalysis by EELS has been developing rapidly and though the general form of the spectrum is now understood there is a need to put the technique on a more quantitative basis (1,2). Certain aspects important for microanalysis include: (i) accurate determination of the partial cross sections, σx(α,ΔE) for core excitation when scattering lies inside collection angle a and energy range ΔE above the edge, (ii) behavior of the background intensity due to excitation of less strongly bound electrons, necessary for extrapolation beneath the signal of interest, (iii) departures from the simple hydrogenic K-edge seen in L and M losses, effecting σx and complicating microanalysis. Such problems might be approached empirically but here we describe how computation can elucidate the spectrum shape.The inelastic cross section differential with respect to energy transfer E and momentum transfer q for electrons of energy E0 and velocity v can be written as


2010 ◽  
Vol 09 (05) ◽  
pp. 935-943 ◽  
Author(s):  
PENG SONG ◽  
YONG-HUA ZHU ◽  
JIAN-YONG LIU ◽  
FENG-CAI MA

The stereodynamics of the title reaction on the ground electronic state X2A' potential energy surface (PES)1 has been studied using the quasiclassical trajectory (QCT) method. The commonly used polarization-dependent differential cross-sections (PDDCSs) of the product and the angular momentum alignment distribution, P(θr) and P(Φr), are generated in the center-of-mass frame using QCT method to gain insight of the alignment and orientation of the product molecules. Influence of collision energy on the stereodynamics is shown and discussed. The results reveal that the distribution of P(θr) and P(Φr) is sensitive to collision energy. The PDDCSs exhibit different collision energy dependency relationship at low and high collision energy ranges.


1994 ◽  
Vol 72 (3) ◽  
pp. 660-672 ◽  
Author(s):  
R. Glen Macdonald ◽  
Kopin Liu Argonne ◽  
David M. Sonnenfroh ◽  
Di-Jia Liu

The title reaction has been studied in a crossed molecular beam apparatus. Both the product state distributions and the translational energy dependence of the reaction cross sections were measured under single collision conditions. Excellent agreement was found over a wide temperature range (26–3800 K) between rate constants deduced from the translational excitation function and recent thermal kinetic data. The rotational state distribution was found to be very cold compared to the reaction exothermicity, and could be described by a Boltzmann temperature of 110 K for all K-doublet levels. The vibronic state distribution was also found to be cold, with 70% of the products formed in the vibrational ground state. By comparing the molecular beam results for vibronic state distributions with those obtained from recent bulb experiments, it was conjectured that there appears to be a strong correlation between rotation in the reactants and bending excitation in the products.


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