Cross sections for transfer of rotational angular momentum in CO2from13C spin relaxation studies in the gas phase

1987 ◽  
Vol 86 (5) ◽  
pp. 2717-2722 ◽  
Author(s):  
Cynthia J. Jameson ◽  
A. Keith Jameson ◽  
Nancy C. Smith ◽  
Karol Jackowski
Keyword(s):  
Angular Momentum ◽  
Gas Phase ◽  
Spin Relaxation ◽  
Cross Sections ◽  
Relaxation Studies ◽  
Rotational Angular Momentum

Waldmann-Snider Collision Integrals and Nonspherical Molecular Interaction. I. Collision Integrals for Pure Gases

1974 ◽  
Vol 29 (12) ◽  
pp. 1705-1716 ◽  
Author(s):  
W. E. Köhler
Keyword(s):  
Angular Momentum ◽  
Cross Sections ◽  
Molecular Interaction ◽  
Scattering Amplitude ◽  
Collision Operator ◽  
Positive Definiteness ◽  
Collision Integrals ◽  
General Properties ◽  
Relaxation Coefficients ◽  
Rotational Angular Momentum

Collision integrals of the linearized Waldmann-Snider collision operator for pure gases are defined. General properties due to invariances of the molecular interaction are discussed. Effective cross sections are introduced and expressed in terms of convenient bracket symbols. The positive definiteness of the relaxation coefficients is proved. The approximation of small nonsphericity for the scattering amplitude is explained and consequences for the collision integrals are investigated. Molecular cross sections describing the orientation and reorientation of the molecular rotational angular momentum are defined. Expressions for effective cross sections relevant for the various nonequilibrium alignment phenomena are presented.

ChemInform Abstract: Spin Relaxation Studies of the Muonium Substituted Ethyl Radical in the Gas Phase

ChemInform ◽  
2010 ◽  
Vol 22 (32) ◽  
pp. no-no
Author(s):  
D. G. FLEMING ◽  
R. F. KIEFL ◽  
D. M. GARNER ◽  
M. SENBA ◽  
A. C. GONZALEZ ◽  
...  
Keyword(s):  
Gas Phase ◽  
Spin Relaxation ◽  
Ethyl Radical ◽  
Relaxation Studies

QUASICLASSICAL TRAJECTORY STUDY OF STEREODYNAMICS FOR THE REACTIONS Li+HF/DF/TF

2013 ◽  
Vol 12 (03) ◽  
pp. 1350008
Author(s):  
JIE CHENG ◽  
XIAN-FANG YUE
Keyword(s):  
Angular Momentum ◽  
Cross Sections ◽  
Collision Energy ◽  
Energy Surface ◽  
Center Of Mass ◽  
Angular Distributions ◽  
Direct Reaction ◽  
Generalized Polarization ◽  
State 1 ◽  
Rotational Angular Momentum

Stereodynamics of the reaction Li + HF (v = 0,j = 0) → LiF + H and its isotopic variants on the ground electronic state (12A′) potential energy surface (PES) are studied by employing the quasiclassical trajectory (QCT) method. At a collision energy of 2.2 kcal/mol, product rotational angular momentum distributions, P(θr) and P(ϕr), are calculated in the center-of-mass (CM) frame. The results demonstrate that the product rotational angular momentum j′ is not only aligned along the direction perpendicular to the reagent relative velocity vector k, but also oriented along the negative y-axis. The four generalized polarization-dependent differential cross sections (PDDCSs) are also computed. The PDDCS00 distribution shows a sideways scattering for the reaction Li + HF and a strongly backward scattering for the reaction Li + DF . However, it displays both the forward and backward scatterings for the reaction Li + TF . These features demonstrate that the Li + HF and Li + DF reactions proceed predominantly through the direct reaction mechanism. However, the Li + TF reaction undergoes both the direct and indirect reaction mechanisms. The PDDCS21- distribution indicates that the product angular distributions are anisotropic.

THEORETICAL STUDY OF PRODUCT POLARIZATION FOR THE REACTION Ba + CH3I → BaI + CH3

2009 ◽  
Vol 08 (supp01) ◽  
pp. 1045-1051
Author(s):  
YAN QI ◽  
ZHI-XIN DUAN
Keyword(s):  
Angular Momentum ◽  
Cross Sections ◽  
Collision Energy ◽  
Center Of Mass ◽  
Exothermic Reaction ◽  
Classical Trajectory ◽  
Angle Distribution ◽  
Vector Correlation ◽  
Generalized Differential ◽  
Rotational Angular Momentum

Using quasi-classical trajectory (QCT) method, the vector correlation between products and reagents for the exothermic reaction Ba + CH3I → BaI + CH3 has been studied on the extended Lond–Eyring–Polanyi–Sato (LEPS) potential energy surface (PES) at three collision energies of 1.6, 3.3, and 5.6 kcal/mol. The P(θr) distribution of the products describing the k-j' correlation and the dihedral angle distribution P(ϕr) describing k-k'-j' correlation are calculated in center-of-mass (CM) frame. Four polarization dependent generalized differential cross-sections (2π/σ)(dσ00/dωt), (2π/σ)(dσ20/dωt), (2π/σ)(dσ22+/dωt), and (2π/σ)(dσ21-/dωt) have also been presented in the CM frame as well. The results indicate that the product rotational angular momentum j' is not only aligned, but also oriented along the direction perpendicular to the scattering plane. In addition, the alignment and the orientation of the BaI product rotational angular momentum depend very sensitively on the collision energy.

Spin relaxation studies of the muonium substituted ethyl radical in the gas phase

1991 ◽  
Vol 65 (1-4) ◽  
pp. 767-771 ◽  
Author(s):  
D. G. Fleming ◽  
R. F. Kiefl ◽  
D. M. Garner ◽  
M. Senba ◽  
A. C. Gonzalez ◽  
...  
Keyword(s):  
Gas Phase ◽  
Spin Relaxation ◽  
Ethyl Radical ◽  
Relaxation Studies
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