Collision energy dependence of the reactive scattering of Br with HAt

1982 ◽  
Vol 76 (1) ◽  
pp. 362-377 ◽  
Author(s):  
J. R. Grover ◽  
D. E. Malloy ◽  
J. B. A. Mitchell
Keyword(s):  
Energy Dependence ◽  
Collision Energy ◽  
Reactive Scattering

Collision-Energy Dependence of the Ion–Molecule Charge Exchange Reaction Ar+ + NO

2018 ◽  
Vol 122 (47) ◽  
pp. 9171-9176 ◽  
Author(s):  
Jie Hu ◽  
Chun-Xiao Wu ◽  
Yunsheng Ma ◽  
Shan Xi Tian
Keyword(s):  
Exchange Reaction ◽  
Energy Dependence ◽  
Charge Exchange ◽  
Collision Energy ◽  
Charge Exchange Reaction

Theoretical investigations of the Au++H2 reactive scattering by the time-dependent quantum wave packet method

2017 ◽  
Vol 31 (06) ◽  
pp. 1750039 ◽  
Author(s):  
Wentao Lee ◽  
Haixiang He ◽  
Maodu Chen
Keyword(s):  
Wave Packet ◽  
Cross Sections ◽  
Collision Energy ◽  
Time Dependent ◽  
Reactive Scattering ◽  
Total Reaction ◽  
Theoretical Investigations ◽  
Classical Trajectories ◽  
Quantum Wave

Employing the state-to-state time-dependent quantum wave packet method, the Au[Formula: see text]H2 reactive scattering with initial states [Formula: see text], [Formula: see text] and 1 were investigated. Total reaction probabilities, product state-resolved integral cross-sections (ICSs) and differential cross-sections (DCSs) were calculated up to collision energy of 4.5 eV. The numerical results show that total reaction probabilities and ICSs increase with increasing collision energies, and there is little effect to the reactive scattering processes from the rotational excitation of H2 molecule. Below collision energy of around 3.0 eV, the role of the potential well in the entrance channel is significant and the reactive scattering proceeds dominantly by an indirect process, which leads to a nearly symmetric shape of the DCSs. With collision energy higher than 4.0 eV, the reactive scattering proceeds through a direct process, which leads to a forward biased DCSs, and also a hotter rotational distributions of the products. Total ICS agrees with the results by the quasi-classical trajectories theory very well, which suggests that the quantum effects in this reactive process are not obvious. However, the agreement between the experimental total cross-section and our theoretical result is not so good. This may be due to the uncertainty of the experiment or/and the inaccuracy of the potential energy surface.

Seemingly Anomalous Angular Distributions in H + D2 Reactive Scattering

Science ◽  
2012 ◽  
Vol 336 (6089) ◽  
pp. 1687-1690 ◽  
Author(s):  
Justin Jankunas ◽  
Richard N. Zare ◽  
Foudhil Bouakline ◽  
Stuart C. Althorpe ◽  
Diego Herráez-Aguilar ◽  
...  
Keyword(s):  
Cross Sections ◽  
Collision Energy ◽  
Minimum Energy ◽  
Angular Distributions ◽  
Quantum Mechanical ◽  
Minimum Energy Path ◽  
Reactive Scattering ◽  
Rotational Excitation ◽  
Reaction Products ◽  
Trajectory Calculations

When a hydrogen (H) atom approaches a deuterium (D2) molecule, the minimum-energy path is for the three nuclei to line up. Consequently, nearly collinear collisions cause HD reaction products to be backscattered with low rotational excitation, whereas more glancing collisions yield sideways-scattered HD products with higher rotational excitation. Here we report that measured cross sections for the H + D2 → HD(v′ = 4, j′) + D reaction at a collision energy of 1.97 electron volts contradict this behavior. The anomalous angular distributions match closely fully quantum mechanical calculations, and for the most part quasiclassical trajectory calculations. As the energy available in product recoil is reduced, a rotational barrier to reaction cuts off contributions from glancing collisions, causing high-j′ HD products to become backward scattered.

scholarly journals Collision Energy Dependence of the Competing Mechanisms of Reaction of Chlorine Atoms with Propene

2019 ◽  
Vol 123 (13) ◽  
pp. 2679-2686 ◽  
Author(s):  
Frederick J. J. Cascarini ◽  
Balázs Hornung ◽  
Mitchell S. Quinn ◽  
Patrick A. Robertson ◽  
Andrew J. Orr-Ewing
Keyword(s):  
Energy Dependence ◽  
Collision Energy ◽  
Chlorine Atoms
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