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Using stereodynamical portraits to visualize polarized rotational angular momentum distributions in H2–surface collisions

Helen Chadwick Orcid Logo

The Journal of Chemical Physics, Volume: 164, Issue: 1, Start page: 014706

Swansea University Author: Helen Chadwick Orcid Logo

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DOI (Published version): 10.1063/5.0312643

Abstract

The magnetic molecular interferometer (MMI) is a molecular beam scattering apparatus, which allows the polarization of the rotational angular momentum (J) of ortho-H2 molecules to be controlled using tunable magnetic fields before they collide with a surface, and their J′ polarization to be determin...

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Published in: The Journal of Chemical Physics
ISSN: 0021-9606 1089-7690
Published: AIP Publishing 2026
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URI: https://cronfa.swan.ac.uk/Record/cronfa71226
first_indexed 2026-01-10T17:07:07Z
last_indexed 2026-02-07T05:28:45Z
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spelling 2026-02-06T12:40:24.4808611 v2 71226 2026-01-10 Using stereodynamical portraits to visualize polarized rotational angular momentum distributions in H2–surface collisions 8ff1942a68a875f00d473d51aa4947a1 0000-0003-4119-6903 Helen Chadwick Helen Chadwick true false 2026-01-10 EAAS The magnetic molecular interferometer (MMI) is a molecular beam scattering apparatus, which allows the polarization of the rotational angular momentum (J) of ortho-H2 molecules to be controlled using tunable magnetic fields before they collide with a surface, and their J′ polarization to be determined after the collision. In the current work, quantum population distribution functions, or “stereodynamical portraits,” are used to visualize the rotational angular momentum polarization of ortho-H2 molecules that the MMI creates before the collision with the surface, revealing that the sensitivity of the MMI to stereodynamic effects which depend on the orientation of J with respect to the surface normal can be increased by manipulating the H2 molecules with two perpendicular magnetic fields rather than just a single field. They can also be used to depict the polarization dependence of a H2-surface collision, as shown by the example considered here, where it is found that when H2 molecules undergo diffractive scattering from a Cu(511) surface, different J polarizations are selected to scatter into different diffraction channels, just as different polarizations of J′ are created after scattering. Signals measured with the MMI are necessarily dependent on both the rotational polarization the MMI creates and the dependence of the molecule-surface collision on this, and it is demonstrated that for flux detection measurements it would be possible to analyze the data directly in terms of the polarization moments which characterize these two properties to gain a more immediate insight into the stereodynamics of the collision than is possible using alternative analysis methods. Journal Article The Journal of Chemical Physics 164 1 014706 AIP Publishing 0021-9606 1089-7690 7 1 2026 2026-01-07 10.1063/5.0312643 COLLEGE NANME Engineering and Applied Sciences School COLLEGE CODE EAAS Swansea University SU Library paid the OA fee (TA Institutional Deal) UKRI Future Leaders Fellowship (Grant No. MR/X03609X/1); EPSRC (Grant No. EP/X037886/1). MR/X03609X/1, EP/X037886/1 2026-02-06T12:40:24.4808611 2026-01-10T16:59:28.9950042 Faculty of Science and Engineering School of Engineering and Applied Sciences - Chemistry Helen Chadwick 0000-0003-4119-6903 1 71226__36203__d65eaf16af6c44959fb605a7b1918da2.pdf 71226.VOR.pdf 2026-02-06T12:37:53.8026176 Output 9692400 application/pdf Version of Record true © 2026 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution (CC BY) license. true eng https://creativecommons.org/licenses/by/4.0/
title Using stereodynamical portraits to visualize polarized rotational angular momentum distributions in H2–surface collisions
spellingShingle Using stereodynamical portraits to visualize polarized rotational angular momentum distributions in H2–surface collisions
Helen Chadwick
title_short Using stereodynamical portraits to visualize polarized rotational angular momentum distributions in H2–surface collisions
title_full Using stereodynamical portraits to visualize polarized rotational angular momentum distributions in H2–surface collisions
title_fullStr Using stereodynamical portraits to visualize polarized rotational angular momentum distributions in H2–surface collisions
title_full_unstemmed Using stereodynamical portraits to visualize polarized rotational angular momentum distributions in H2–surface collisions
title_sort Using stereodynamical portraits to visualize polarized rotational angular momentum distributions in H2–surface collisions
author_id_str_mv 8ff1942a68a875f00d473d51aa4947a1
author_id_fullname_str_mv 8ff1942a68a875f00d473d51aa4947a1_***_Helen Chadwick
author Helen Chadwick
author2 Helen Chadwick
format Journal article
container_title The Journal of Chemical Physics
container_volume 164
container_issue 1
container_start_page 014706
publishDate 2026
institution Swansea University
issn 0021-9606
1089-7690
doi_str_mv 10.1063/5.0312643
publisher AIP Publishing
college_str Faculty of Science and Engineering
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hierarchy_top_id facultyofscienceandengineering
hierarchy_top_title Faculty of Science and Engineering
hierarchy_parent_id facultyofscienceandengineering
hierarchy_parent_title Faculty of Science and Engineering
department_str School of Engineering and Applied Sciences - Chemistry{{{_:::_}}}Faculty of Science and Engineering{{{_:::_}}}School of Engineering and Applied Sciences - Chemistry
document_store_str 1
active_str 0
description The magnetic molecular interferometer (MMI) is a molecular beam scattering apparatus, which allows the polarization of the rotational angular momentum (J) of ortho-H2 molecules to be controlled using tunable magnetic fields before they collide with a surface, and their J′ polarization to be determined after the collision. In the current work, quantum population distribution functions, or “stereodynamical portraits,” are used to visualize the rotational angular momentum polarization of ortho-H2 molecules that the MMI creates before the collision with the surface, revealing that the sensitivity of the MMI to stereodynamic effects which depend on the orientation of J with respect to the surface normal can be increased by manipulating the H2 molecules with two perpendicular magnetic fields rather than just a single field. They can also be used to depict the polarization dependence of a H2-surface collision, as shown by the example considered here, where it is found that when H2 molecules undergo diffractive scattering from a Cu(511) surface, different J polarizations are selected to scatter into different diffraction channels, just as different polarizations of J′ are created after scattering. Signals measured with the MMI are necessarily dependent on both the rotational polarization the MMI creates and the dependence of the molecule-surface collision on this, and it is demonstrated that for flux detection measurements it would be possible to analyze the data directly in terms of the polarization moments which characterize these two properties to gain a more immediate insight into the stereodynamics of the collision than is possible using alternative analysis methods.
published_date 2026-01-07T05:34:46Z
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score 11.096172

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