Calculations of inelastic cross sections for rotational excitation

1968 ◽  
Vol 211 (1) ◽  
pp. 35-50 ◽  
Author(s):  
W. Erlewein ◽  
M. von Seggern ◽  
J. P. Toennies
Keyword(s):  
Cross Sections ◽  
Rotational Excitation

Electron scattering from germanium tetrafluoride

RSC Advances ◽  
2014 ◽  
Vol 4 (109) ◽  
pp. 63817-63823 ◽  
Author(s):  
Biplab Goswami ◽  
Rahla Naghma ◽  
Bobby Antony
Keyword(s):  
Momentum Transfer ◽  
Electron Scattering ◽  
Cross Sections ◽  
Differential Cross ◽  
Shape Resonance ◽  
Differential Cross Sections ◽  
Rotational Excitation ◽  
R Matrix ◽  
High Energies ◽  
Germanium Tetrafluoride

R-matrix and SCOP methods are used at low and high energies respectively to find e-GeF4 TCS. Electronic and rotational excitation, momentum transfer and elastic differential cross sections are also calculated. A shape resonance is observed at 5.7 eV.

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.

Elastic and rotational excitation cross sections for electron-nitrous oxide collisions

2003 ◽  
Vol 95 (3) ◽  
pp. 260-266 ◽  
Author(s):  
M.-T. Lee ◽  
I. Iga ◽  
L. M. Brescansin ◽  
L. E. Machado
Keyword(s):  
Nitrous Oxide ◽  
Cross Sections ◽  
Rotational Excitation ◽  
Excitation Cross Sections

EFFECTS OF ROTATIONAL AND VIBRATIONAL EXCITATION ON THE STEREODYNAMICS OF THE O (D-1) + HCl → OH + Cl REACTION

2009 ◽  
Vol 08 (06) ◽  
pp. 1177-1184 ◽  
Author(s):  
QIANG WEI ◽  
VICTOR WEI-KEH WU ◽  
BO ZHOU
Keyword(s):  
Cross Sections ◽  
Collision Energy ◽  
Energy Surface ◽  
Vibrational Excitation ◽  
Classical Trajectory ◽  
Rotational Excitation ◽  
Title Reaction ◽  
Vibrational Excitations ◽  
Product Vector ◽  
Good Agreement

The stereodynamics of the title reaction on the ground 1 1A′ potential energy surface (PES) has been studied using quasi-classical trajectory (QCT) method. Collision energy of 6.4 kcal/mol is considered, and vector properties including angular momentum alignment distributions and polarization-dependent differential cross-sections (PDDCS) of the product OH are presented. Furthermore, the influence of reagent rotational excitation and vibrational excitation on the product vector properties has also been studied in the present work. The results indicate that the distribution of the P(θr) and P(ϕr) are sensitively affected by the rotational and vibrational excitation. The rotational excitation decreases the degree of alignment and orientation, while vibrational excitation increases the degree of alignment and orientation. The PDDCS (2π/σ)(dσ20/dωt) and (2π/σ)(dσ22+/dωt) are sensitively influenced by rotational and vibrational excitations, while the PDDCS ((2π/σ)(dσ00/dωt)) and (2π/σ)(dσ21-/dωt) are not. The preference of forward scattering has been found from the results of PDDCS ((2π/σ)(dσ00/dωt)), which is in good agreement with the experimental results.

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