State-to-state quantum reactive scattering for four-atom chemical reactions: Differential cross section for the H+H2O→H2+OH abstraction reaction

2006 ◽  
Vol 125 (13) ◽  
pp. 133102 ◽  
Author(s):  
Dong H. Zhang
1988 ◽  
Vol 9 (4-6) ◽  
pp. 265-276 ◽  
Author(s):  
N. C. Firth ◽  
N. W. Keane ◽  
D. J. Smith ◽  
R. Grice

Reactive scattering of O atoms with Br2 molecules has been studied at an initial translational energy E~35 kJ mol−1 using cross-correlation time-of-flight analysis with resolution improved over previous measurements. The centre-of-mass differential cross section peaks in the forward and backward directions with a higher product translational energy for backward Scattering. The angular distribution traced at the peak of the product velocity distribution peaks more sharply in the forward than the backward direction but the angular distribution of product flux shows a distribution which is more nearly symmetrical about θ = 90°. The observed scattering is attributed to a triplet OBrBr complex intermediate with a lifetime which is shorter than the period of overall rotation of the axis of the heavy BrBr diatomic but which is long compared with the period of vibrational and rotational motion of the light O atom.


2008 ◽  
Vol 07 (04) ◽  
pp. 777-791 ◽  
Author(s):  
BINA FU ◽  
YONG ZHOU ◽  
DONG H. ZHANG

The time-dependent wave packet method was used to calculate the state-to-state differential cross sections for abstraction and exchange processes in the title reaction on the Kurosaki–Takayanagi potential energy surface [Kurosaki Y, Takayanagi T, J Chem Phys119:7838, 2003], with the reactant HBr initially in the ground rovibrational state. It is found that the trend in the product distributions is similar for abstraction and exchange processes, but the differential cross sections are very different. For the exchange reaction, the product is mainly scattered in the backward hemisphere for collision energy up to 2.0 eV, although forward scattering gradually shows up in high collision energies. While for abstraction reaction, the differential cross section changes substantially with the collision energy, moving from predominantly backward peaked at low collision energy to predominantly forward peaked at high collision energy. The rovibrational state resolved differential cross section at collision energy of 2.0 eV exhibits two peaks for the abstraction reaction, one is around the angle of 50°, and the other at 0°. It is found that the peaks around 50°, are below the corresponding maximum j' lines provided by the kinematic constraint model, while the forward-scattered peaks straddle both sides of the kinematic limit, and are likely contributed from both the direct and the migratory reaction mechanisms as proposed by Zare and coworkers.


1982 ◽  
Vol 77 (3) ◽  
pp. 1323-1334 ◽  
Author(s):  
Wl/odzimierz Kol/os ◽  
Hendrik J. Monkhorst ◽  
Krzysztof Szalewicz

1993 ◽  
Vol 02 (04) ◽  
pp. 915-921 ◽  
Author(s):  
C. RANGACHARYULU ◽  
A. RICHTER

It is pointed out that the y-dependence of the differential cross-section for various types of neutrinos on the electron promises to be a sensitive testing ground of the electroweak Standard Model at KAON in Vancouver. Estimates of the flux requirements are given and the feasibility of such experiments is discussed.


1996 ◽  
Vol 54 (1) ◽  
pp. 439-443 ◽  
Author(s):  
G. Gasaneo ◽  
W. Cravero ◽  
M. D. Sánchez ◽  
C. R. Garibotti

Sign in / Sign up

Export Citation Format

Share Document