Glories, hidden rainbows and nearside–farside interference effects in the angular scattering of the state-to-state H + HD → H<sub>2</sub> + D reaction

Xiahou, Chengkui; Connor, J. N. L.

doi:10.1039/d1cp00942g

Cited by 8 publications

(44 citation statements)

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“…where m i and m f are the helicity quantum numbers for the initial and final states, respectively. In our earlier paper 6 (denoted XC1), which is a companion to this one, we studied theoretically the DCSs for the four state-to-state transitions in reaction (R2) with m f = 0, namely…”

Section: Introductionmentioning

confidence: 99%

“…In particular, we analyzed the dynamics of the angular scattering for reaction (R3) in order to understand the physical content of the structure in the four helicity-resolved DCSs. 6 We discovered: glory scattering at small angles, broad or "hidden" nearside rainbows, Nearside-Farside (NF) interference effects (sometimes called Fraunhofer diffraction/ oscillations), a "CoroGlo" test to distinguish corona and forward glory scattering, and a "distorted mirror image" mechanism present at intermediate and large angles. 6 In this paper, we focus on the DCSs for state-to-state transitions with nonzero helicities.…”

Section: Introductionmentioning

confidence: 99%

“…6 We discovered: glory scattering at small angles, broad or "hidden" nearside rainbows, Nearside-Farside (NF) interference effects (sometimes called Fraunhofer diffraction/ oscillations), a "CoroGlo" test to distinguish corona and forward glory scattering, and a "distorted mirror image" mechanism present at intermediate and large angles. 6 In this paper, we focus on the DCSs for state-to-state transitions with nonzero helicities. This reduces the number of DCSs in reaction (R2) to 12.…”

Section: Introductionmentioning

confidence: 99%

“…Note that the NF theory was used extensively in XC1. 6 In particular, an NF analysis has the advantage that the semiclassical (asymptotic) picture is still evident, even though semiclassical techniques, such as the stationary phase or saddle point methods, are not applied. Note that Yuan et al 1 have conjectured on the role an NF analysis plays in explaining oscillatory structures in their DCSs.…”

Section: Introductionmentioning

confidence: 99%

“…20,21 It is particularly useful for understanding structures in a DCS at intermediate and large angles for direct reactions. 6,7 This paper is organized as follows: Section 2 summarizes the partial wave theory and explains our conventions and definitions for the DCSs and LAMs. This section also includes a discussion of the caustic properties that we need and summarizes the unres NF, res NF, and resΔ NF decompositions.…”

Section: Introductionmentioning

confidence: 99%

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Nearside-Farside Analysis of the Angular Scattering for the State-to-State H + HD → H₂ + D Reaction: Nonzero Helicities

Xiahou¹,

Connor

2021

J. Phys. Chem. A

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We theoretically analyze the differential cross sections (DCSs) for the state-to-state reaction, H + HD( v i = 0, j i = 0, m i = 0) → H 2 ( v f = 0, j f = 1,2,3, m f = 1,.., j f ) + D, over the whole range of scattering angles, where v , j , and m are the vibrational, rotational, and helicity quantum numbers for the initial and final states. The analysis extends and complements previous calculations for the same state-to-state reaction, which had j f = 0,1,2,3 and m f = 0, as reported by Xiahou C. Connor J. N. L. Xiahou C. Connor J. N. L. 34096934 Phys. Chem. Chem. Phys. 2021 23 13349 13369 . Motivation comes from the state-of-the-art experiments and simulations of Yuan Yuan 29686377 Nature Chem. 2018 10 653 658 who have measured, for the first time, fast oscillations in the small-angle region of the degeneracy-averaged DCSs for j f = 1 and 3 as well as slow oscillations in the large-angle region. We start with the partial wave series (PWS) for the scattering amplitude expanded in a basis set of reduced rotation matrix elements. Then our main theoretical tools are two variants of Nearside-Farside (NF) theory applied to six transitions: (1) We apply unrestricted, restricted, and restrictedΔ NF decompositions to the PWS including resummations. The restricted and restrictedΔ NF DCSs correctly go to zero in the forward and backward directions when m f > 0, unlike the unrestricted NF DCSs, which incorrectly go to infinity. We also exploit the Local Angular Momentum theory to provide additional insights into the reaction dynamics. Properties of reduced rotation matrix elements of the second kind play an important role in the NF analysis, together with their caustics. (2) We apply an approximate N theory at intermediate and large angles, namely, the Semiclassical Optical Model of Herschbach. We show there are two different reaction mechanisms. The fast oscillations at small angles (sometimes called Fraunhofer diffraction/oscillations) are an NF interference effect. In contrast, the slow oscillations at intermediate and large angles are an N effect, which arise from a direct scattering, and are a “distorted mirror image” mechanism. We also compare these results with the experimental data.

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Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Nearside-Farside Analysis of the Angular Scattering for the State-to-State H + HD → H₂ + D Reaction: Nonzero Helicities

Xiahou¹,

Connor

2021

J. Phys. Chem. A

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Velocity-Selected Rotational State Distributions of Nitric Oxide Scattered off Graphene Revealed by Surface-Velocity Map Imaging

2023

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We report velocity-dependent internal energy distributions of nitric oxide molecules, NO, scattered off graphene supported on gold to further explore the dynamics of the collision process between NO radicals and graphene. These experiments were performed by directing a molecular beam of NO onto graphene in a surface-velocity map imaging setup, which allowed us to record internal energy distributions of the NO radicals as a function of their velocity. We do not observe bond formation but (1) major contributions from direct inelastic scattering and (2) a smaller trapping−desorption component where some physisorbed NO molecules have residence times on the order of microseconds. This is in agreement with our classical molecular dynamics simulations which also observe a small proportion of two-and multi-bounce collisions events but likewise a small proportion of NO radicals trapped at the surface for the entire length of the molecular dynamics simulations (a few picoseconds). Despite a collision energy of 0.31 eV, which would be sufficient to populate NO(v = 1), we do not detect vibrationally excited nitric oxide.

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Unveiling Quantum Interference in the D⁺ + H₂ Nonadiabatic Reaction Dynamics at Low Collision Energies

Mao,

Yang,

Buren

et al. 2024

J. Phys. Chem. A

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Glories, hidden rainbows and nearside–farside interference effects in the angular scattering of the state-to-state H + HD → H₂ + D reaction

Abstract: Yuan et al. [Nature Chem., 2018, 10, 653] have reported state-of-the-art measurements of differential cross sections (DCSs) for the H + HD → H2 + D reaction, measuring for the...

Cited by 8 publications

References 83 publications

Nearside-Farside Analysis of the Angular Scattering for the State-to-State H + HD → H₂ + D Reaction: Nonzero Helicities

Nearside-Farside Analysis of the Angular Scattering for the State-to-State H + HD → H₂ + D Reaction: Nonzero Helicities

Velocity-Selected Rotational State Distributions of Nitric Oxide Scattered off Graphene Revealed by Surface-Velocity Map Imaging

Unveiling Quantum Interference in the D⁺ + H₂ Nonadiabatic Reaction Dynamics at Low Collision Energies

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Glories, hidden rainbows and nearside–farside interference effects in the angular scattering of the state-to-state H + HD → H2 + D reaction

Abstract: Yuan et al. [Nature Chem., 2018, 10, 653] have reported state-of-the-art measurements of differential cross sections (DCSs) for the H + HD → H2 + D reaction, measuring for the...

Cited by 8 publications

References 83 publications

Nearside-Farside Analysis of the Angular Scattering for the State-to-State H + HD → H2 + D Reaction: Nonzero Helicities

Nearside-Farside Analysis of the Angular Scattering for the State-to-State H + HD → H2 + D Reaction: Nonzero Helicities

Velocity-Selected Rotational State Distributions of Nitric Oxide Scattered off Graphene Revealed by Surface-Velocity Map Imaging

Unveiling Quantum Interference in the D+ + H2 Nonadiabatic Reaction Dynamics at Low Collision Energies

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Glories, hidden rainbows and nearside–farside interference effects in the angular scattering of the state-to-state H + HD → H₂ + D reaction

Nearside-Farside Analysis of the Angular Scattering for the State-to-State H + HD → H₂ + D Reaction: Nonzero Helicities

Nearside-Farside Analysis of the Angular Scattering for the State-to-State H + HD → H₂ + D Reaction: Nonzero Helicities

Unveiling Quantum Interference in the D⁺ + H₂ Nonadiabatic Reaction Dynamics at Low Collision Energies