State-to-state rotationally inelastic scattering of ND3 on a graphite (0001) surface

LaVilla, Michael E.; Ionova, Irina V.; Ionov, S. I.

doi:10.1063/1.463313

Cited by 5 publications

(3 citation statements)

References 24 publications

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“…Another state-to-state scattering experiment of ND 3 on graphite (0 0 0 1) used a hexapole to select molecules in antisymmetric (|− ) tunneling-inversion states [178][179][180]. With the hexapole, it was possible to generate a beam of ND 3 with 97% of molecules in |− levels.…”

Section: 312ammoniamentioning

confidence: 99%

Fundamental mechanisms for molecular energy conversion and chemical reactions at surfaces

et al. 2019

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The dream of theoretical surface chemistry is to predict the outcome of reactions in order to find the ideal catalyst for a certain application. Having a working ab initio theory in hand would not only enable these predictions but also provide insights into the mechanisms of surface reactions. The development of theoretical models can be assisted by experimental studies providing benchmark data. Though for some reactions a quantitative agreement between experimental observations and theoretical calculations has been achieved, theoretical surface chemistry is in general still far away from gaining predictive power. Here we review recent experimental developments towards the understanding of surface reactions. It is demonstrated how quantum-state resolved scattering experiments on reactive and nonreactive systems can be used to test front-running theoretical approaches. Two challenges for describing dynamics at surfaces are addressed: nonadiabaticity in diatomic molecule surface scattering and the increasing system size when observing and describing the dynamics of polyatomic molecules at surfaces. Finally recent experimental studies on reactive systems are presented. It is shown how elementary steps in a complex surface reaction can be revealed experimentally.

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Section: 312ammoniamentioning

confidence: 99%

Fundamental mechanisms for molecular energy conversion and chemical reactions at surfaces

et al. 2019

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“…They should not be restricted to photodesorption but should also occur in the scattering of oriented beams, where orientation and final scattering angle result in the necessary reduction of sampled configuration space [24].…”

Section: Isotope and Quantum Effects In Vibrational State Distributiomentioning

confidence: 99%

Isotope and Quantum Effects in Vibrational State Distributions of Photodesorbed Ammonia

et al. 1997

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A marked quantum effect has been observed in the vibrational state distribution of photodesorbed ammonia. Namely, for quantum numbers larger than zero, symmetric and antisymmetric levels in the n 2 mode of the desorbed ammonia molecule are unequally populated. A strong propensity for symmetric levels is observed for NH 3 , whereas the reverse is found for ND 3 . Model calculations reproduce this effect. Moreover, it is found that the actual ratios probe the binding energy in the energetically less favorable inverted geometry with the H atoms pointing towards the surface. [S0031-9007(97)

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“…At first most attention was paid to the interaction of the NO molecule with a fairly inert surface: Ag (111) [9, 34, 38-40, 42, 44-46, 49]. Also the scattering of a variety of polyatomic molecules has been studied; see, e.g., [54][55][56][57][58][59][60][61][62]. In these experiments the scattered molecules are detected with a quadrupole mass spectrometer or a REMPI detector.…”

Section: Scattering Of Oriented Moleculesmentioning

confidence: 99%

Orientation in molecule - surface interactions

Heinzmann

Holloway

Kleyn

et al. 1996

J. Phys.: Condens. Matter

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The role of the orientation of a molecule in its interaction with a surface is examined for a number of cases. At first the determination of the static orientation of a molecule at the surface is discussed. A dependence of the orientation on state and coverage is found for O 2 molecules adsorbed on Ag(110). The orientation dependence of NO in chemisorption, displacement reactions, and chemical reactions is discussed. Rotational excitation of NO in collisions with surfaces is shown to exhibit a strong orientation dependence. Dissociative chemisorption of hydrogen molecules is found to depend on the initial orientation of the molecule. Finally, in dissociative collisions of fast molecules with surfaces the role of the initial orientation is examined and the final orientation of the molecular axis is determined. Several mechanisms for molecular dissociation are discussed.

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State-to-state rotationally inelastic scattering of ND3 on a graphite (0001) surface

Cited by 5 publications

References 24 publications

Fundamental mechanisms for molecular energy conversion and chemical reactions at surfaces

Fundamental mechanisms for molecular energy conversion and chemical reactions at surfaces

Isotope and Quantum Effects in Vibrational State Distributions of Photodesorbed Ammonia

Orientation in molecule - surface interactions

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