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Electron-rotation coupling in UV photodissociation of aligned diatomics
Shaanxi Normal Univ, Sch Phys & Informat Technol, Xian 710119, Peoples R China..
KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Theoretical Chemistry and Biology. Siberian Fed Univ IRC SQC, Int Res Ctr Spect & Quantum Chem, Krasnoyarsk 660041, Russia..ORCID iD: 0000-0003-1269-8760
Inst Appl Phys & Computat Math, Beijing 100088, Peoples R China.;Peking Univ, Ctr Appl Phys & Technol, Beijing 100084, Peoples R China..
Inst Appl Phys & Computat Math, Beijing 100088, Peoples R China..
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2022 (English)In: Physical Review Research, E-ISSN 2643-1564, Vol. 4, no 1, article id 013066Article in journal (Refereed) Published
Abstract [en]

We investigate the effect of electron-rotation coupling (R -Omega coupling) on fs UV photodissociation dynamics of aligned diatomic molecules. We consider the showcase of ground-state MeH+ ((1)Sigma(+)) pumped by an fs IR pulse, which initiates rotational dynamics leading to field-free molecular alignment. A time-delayed fs UV pulse probes the degree of alignment of the rotational wave packet in the framework of photodissociation spectroscopy. The molecular alignment correlates directly with the angular distribution of the photofragments in the dissociative (1)Pi state, as it is shown in our simulations comparing the cases when the R -Omega coupling is included and ignored. We show how the angular distribution of the photofragment is strongly affected by the R -Omega coupling at various delay times with specific molecular alignment. It was shown that increases of the fs UV pulse intensity and the degree of alignment enhance the effect of R -Omega coupling on the angular distribution of the photofragments. On the contrary, an increase of the initial temperature tends to reduce the effect of R -Omega coupling, which is explained by the fact that such an effect turns smaller as the increasing of magnetic state vertical bar M-0 vertical bar for each initial rotational state J(0); furthermore, higher excited rotational state J(0) contains more magnetic states M-0, and the results have been averaged over all degenerated M-0 states.

Place, publisher, year, edition, pages
American Physical Society (APS) , 2022. Vol. 4, no 1, article id 013066
National Category
Atom and Molecular Physics and Optics Astronomy, Astrophysics and Cosmology
Identifiers
URN: urn:nbn:se:kth:diva-309821DOI: 10.1103/PhysRevResearch.4.013066ISI: 000751876800016Scopus ID: 2-s2.0-85125592018OAI: oai:DiVA.org:kth-309821DiVA, id: diva2:1644599
Note

QC 20220315

Available from: 2022-03-15 Created: 2022-03-15 Last updated: 2022-06-25Bibliographically approved

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Kimberg, Victor

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