Quantum isotopic effects and reaction mechanisms: the Li+HF reaction

Citation
A. Lagana et al., Quantum isotopic effects and reaction mechanisms: the Li+HF reaction, PCCP PHYS C, 2(4), 2000, pp. 535-540
Citations number
43
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
PCCP PHYSICAL CHEMISTRY CHEMICAL PHYSICS
ISSN journal
14639076 → ACNP
Volume
2
Issue
4
Year of publication
2000
Pages
535 - 540
Database
ISI
SICI code
1463-9076(2000)2:4<535:QIEARM>2.0.ZU;2-G
Abstract
Zero total angular momentum exact quantum probabilities for Li atoms reacti ng with HF and its isotopic variants were calculated at total energy values ranging from threshold up to 0.6 eV. In this way it has been possible to e stimate product distributions as well as the dependence of the reactive pro bability upon orientation and rotational excitation of reactants. Computed values are compared with quantities obtained from the experiment. To estima te the reactive cross section from zero total angular momentum probabilitie s the J-shifting model was adopted.