The F + HD (<i>v</i> = 0, 1; <i>j</i> = 1) reaction: angular momentum correlations in the low (&lt;1 meV) collision energy regime

A detailed analysis of the low collision energy (0.03-10 meV) integral reaction cross-section has been carried out for the F + HD (<i>v</i> = 0, 1; <i>j</i> = 1)→ HF(DF) + D(H) reaction using accurate, fully converged time-independent hyperspherical quantum dynamics. Particular attention has been paid to the shape (orbiting) resonances and their assignment to the orbital (<i>L</i>) and total (<i>J</i>) angular momenta as well as to the product's state resolved cross-sections at the energies of the resonances. As in previous works, it has been found that the energy position of the resonances depends on the initial state, but is essentially the same for the two exit channels and the product's rovibrational states. The analysis in terms of the orbital and total angular momenta showed that each resonance is characterised by a given value of <i>L</i> but is contributed by several <i>J</i>. The main resonances are due to <i>L</i> = 3 and <i>L</i> = 5 for both F + HD (<i>v</i> = 0, <i>j</i> = 1) and F + HD (<i>v</i> = 1, <i>j</i> = 1) reactions, although they appear at different collision energies. The product's vibrationally resolved excitation functions are found to follow the same pattern as the integral cross-section summed over all final states. A more detailed analysis has been made for the rotationally resolved integral cross-sections associated with <i>L</i> = 3, which gives rise to the main resonance for the two reactions and both product channels, for different final <i>j</i>' states, showing similar behaviour for all <i>j</i>' states except for <i>j</i>' = 0 due to parity conservation. The joint analysis of the final rotational and orbital angular momenta shows that <b><i>L</i></b>' and <b><i>j</i></b>' tend to have an antiparallel orientation.

Authors

Institutions

Publication Details

Journal
Physical Chemistry Chemical Physics
Published
2024-11-27
DOI
https://doi.org/10.1039/d4cp02866j
Primary Topic
Advanced Chemical Physics Studies
Type
article
Field-Weighted Citation Impact
0.00
Controls
|||
ALL TIME
JAN
FEB
MAR
APR
MAY
JUN
JUL
AUG
SEP
OCT
article

The F + HD (v = 0, 1; j = 1) reaction: angular momentum correlations in the low (<1 meV) collision energy regime

V. Sáez-Rábanos, F. J. Aoiz, Vı́ctor J. Herrero, E. Verdasco et al.
Physical Chemistry Chemical Physics
Advanced Chemical Physics Studies
article

The F + HD (v = 0, 1; j = 1) reaction: angular momentum correlations in the low (<1 meV) collision energy regime

V. Sáez-Rábanos, F. J. Aoiz, Vı́ctor J. Herrero, E. Verdasco, G. Sáez-Cano
article en

Abstract

A detailed analysis of the low collision energy (0.03-10 meV) integral reaction cross-section has been carried out for the F + HD (<i>v</i> = 0, 1; <i>j</i> = 1)→ HF(DF) + D(H) reaction using accurate, fully converged time-independent hyperspherical quantum dynamics. Particular attention has been paid to the shape (orbiting) resonances and their assignment to the orbital (<i>L</i>) and total (<i>J</i>) angular momenta as well as to the product's state resolved cross-sections at the energies of the resonances. As in previous works, it has been found that the energy position of the resonances depends on the initial state, but is essentially the same for the two exit channels and the product's rovibrational states. The analysis in terms of the orbital and total angular momenta showed that each resonance is characterised by a given value of <i>L</i> but is contributed by several <i>J</i>. The main resonances are due to <i>L</i> = 3 and <i>L</i> = 5 for both F + HD (<i>v</i> = 0, <i>j</i> = 1) and F + HD (<i>v</i> = 1, <i>j</i> = 1) reactions, although they appear at different collision energies. The product's vibrationally resolved excitation functions are found to follow the same pattern as the integral cross-section summed over all final states. A more detailed analysis has been made for the rotationally resolved integral cross-sections associated with <i>L</i> = 3, which gives rise to the main resonance for the two reactions and both product channels, for different final <i>j</i>' states, showing similar behaviour for all <i>j</i>' states except for <i>j</i>' = 0 due to parity conservation. The joint analysis of the final rotational and orbital angular momenta shows that <b><i>L</i></b>' and <b><i>j</i></b>' tend to have an antiparallel orientation.

Physical Chemistry Chemical PhysicsVol. 27(1)
Universidad Complutense de Madrid (ES), Universidad de Alcalá (ES), Instituto de Estructura de la Materia (ES), Universidad Politécnica de Madrid (ES)
Affordable and clean energy
Openalex Percentile: Top 80%
Advanced Chemical Physics Studies
AI Navigator

Ask Laika to Summarize, Analyze, and Connect papers live on the map.

Summarize Papers & Methodologies

Extract key findings, datasets, and comparative methods across publications.

Benchmark Rankings & Visual Analytics

Rank top research institutions, authors, funders, topics, and journals by Field-Weighted Citation Impact (FWCI) and paper volume with instant charts.

Connect Distant Disciplines

Bridge topological clusters on the map to find hidden collaborative intersections.