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Rotationally inelastic scattering of ND3 with H2 as a probe of the intermolecular potential energy surface

par Tkac, O.;Saha, A.;Loreau, Jérôme ;Ma, Q;Dagdigian, P.J.;Parker, D.;Van der Avoird, Ad;Orr-Ewing, A.
Référence Molecular Physics, 113, page (3925)
Publication Publié, 2015

Article révisé par les pairs

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Résumé :

Differential cross sections (DCSs) are reported for rotationally inelastic scattering of ND3 with H2, measured using a crossed molecular beam apparatus with velocity map imaging (VMI). ND3 molecules were quantum-state selected in the ground electronic and vibrational levels and, optionally, in the j±k = 14- rotation-inversion level prior to collisions. Inelastic scattering of state-selected ND3 with H2 was measured at the mean collision energy of 580 cm-1 by resonance-enhanced multiphoton ionisation spectroscopy and VMI of ND3 in selected single final j'±k' levels. Comparison of experimental DCSs with close-coupling quantum-mechanical scattering calculations serves as a test of a recently reported ab initio potential energy surface. Calculated integral cross sections reveal the propensities for scattering into various final j'±k' levels of ND3 and differences between scattering by ortho and para H2. Integral and differential cross sections are also computed at a mean collision energy of 430 cm-1 and compared to our recent results for inelastic scattering of state-selected ND3 with He.