Imaging scattering resonances in low-energy inelastic ND3-H2 collisions

Stach E. J. Kuijpers, David H. Parker, Jérôme Loreau, Ad Avoird and Sebastiaan Y. T. Meerakker ()
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Stach E. J. Kuijpers: Institute for Molecules and Materials
David H. Parker: Institute for Molecules and Materials
Jérôme Loreau: Department of Chemistry
Ad Avoird: Institute for Molecules and Materials
Sebastiaan Y. T. Meerakker: Institute for Molecules and Materials

Nature Communications, 2025, vol. 16, issue 1, 1-8

Abstract: Abstract A scattering resonance is one of the most striking quantum effects in low-temperature molecular collisions. Predicted decades ago theoretically, they have only been resolved experimentally for systems involving at most four atoms. Extension to more complex systems is essential to probe the true quantum nature of chemically more relevant processes, but is thus far hampered by major obstacles. Here, we present a joint experimental and theoretical study of scattering resonances in state-to-state inelastic collisions for the six-atom ND3-H2/HD systems across the collision energy range 0.5-25 cm−1, bringing this type of experiment into the realm of polyatomic symmetric top molecules. Strong resonances are resolved in the integral cross sections, whereas differential cross sections are measured with high resolution using a laser ionization scheme involving VUV light. The experimental data could only be reproduced using theoretical predictions based on a potential energy surface at the CCSD(T) level of theory with corrections at the CCSDT(Q) level.

Date: 2025
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DOI: 10.1038/s41467-025-62511-5

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