Themed collection New directions in molecular scattering

These concluding remarks summarize the Faraday Discussion on New Directions in Molecular Scattering.

Correlation between state-to-state transition cross-sections and energy transfer in p-H₂O + p-H₂ at collision energy U = 12 000 cm⁻¹.

Infrared spectroscopy and infrared-driven dynamics are analyzed for the prototypical, open-shell collision complex, NO–C₂H₆, generated along the bimolecular collision pathway between NO and C₂H₆.

The phenylethynyl radical reaction with benzene leads to the barrierless, gas-phase synthesis of phenanthrene under single collision conditions as a new pathway toward the formation of polycyclic aromatic hydrocarbons in deep space.

The dynamics of carbene formation in the reaction of methane with the tantalum cation is explored by combining experimentally measured differential cross sections with ab initio calculations.

ND₃ scattering from a dodecane flat liquid jet is investigated and compared to existing studies of ammonia scattering from squalane.

We report the first six-dimensional (6D) fully coupled quantum scattering method for studying the Eley–Rideal reaction between gas phase H(D) atoms and adsorbed D(H) atoms on a rigid Cu(111) surface.

Molecular scattering is reviewed as it pertains to gas–gas as well as gas–surface reaction dynamics. We emphasize the collaboration of experiment and theory, from which new directions of research are being pursued on increasingly complex problems.

Optically centrifuged CO₂ molecules with J = 244–282 are aligned with the excitation polarization while collision products with J = 76–100 have no polarization. Collisions relax 〈m_J〉 at a rate of −2 per collision.

We report an approach to identify intermediates for the formic acid decomposition reaction on Pd(111) and Pd(332) based on accurate measurements of isotopologue specific thermal reaction rates.

We explore the vibrational relaxation of the umbrella mode of ammonia induced by collisions with helium atoms by means of the close-coupling method on an ab initio potential energy surface.

Surface scattering paired with scanning-probe microscopy provides unique insights to on-surface chemical dynamics and reveals morphologically dependent interfacial reactivity.

We report a full-dimensional ab initio analytical potential energy surface and a detailed dynamics investigation for the multi-pathway OH⁻ + CH₃CH₂Cl reaction.

We report how the outcome of rotationally inelastic collisions between two D₂ molecules can be controlled by changing the alignment of their internuclear axes under the same or different polarization vectors.

Crossed beam experiments and theoretical results on the O(³P) + toluene reaction elucidate the reaction mechanism and product branching fractions.

Studying nucleophilic substitution reactions of the polyatomic methoxy anion allows us to narrow the gap to the large systems used in organic synthesis. Despite its complexity, we find predominantly direct dynamics at all studied collision energies.

We explore utilizing our previously observed reactive nuclear spin coherence to control the KRb + KRb ultracold chemical reaction to realize a reaction interferometer.

Specular scattering of H₂ from Cu(511) preferentially occurs for cartwheeling molecules and becomes more selective at higher surface temperatures.

Crossed-beam velocity map imaging, chirped-pulse mmWave spectroscopy, and automated electronic structure calculations are used to investigate the reaction of ground-state sulfur atoms with 1,3-butadiene and isoprene.

Crossed molecular beam scattering combined with velocity-map ion-imaging reveals the dynamical pathways controlling the inelastic scattering of NO(A) with CO₂.

We monitor helium atom evaporation from salty water solutions coated with surfactants.

Crossed-molecular-beam measurements and close-coupling calculations based on high-accuracy potential energy surfaces for the HDO collisions with Ne or H₂ in the near-threshold regime.

A new crossed-molecular-beam experiment enabled the study of isomeric and rotational effects in the chemi-ionisation reaction of dibromoethylene with metastable neon atoms.

The uptake cross sections in collisions of different alcohol molecules with hydrated nitric acid clusters are measured using a molecular beam experiment. Complementary molecular dynamics simulations elucidate the processes.

We extend the use of our recently developed Near-Ambient Pressure Velocity Map Imaging (NAP-VMI) technique to study the kinetics and dynamics of catalytic reactions in the pressure gap.

We demonstrate efficient specular reflection of He atoms and molecules from inexpensive, readily available, and robust optical gratings. The reflection mechanism is based on diffraction of the de Broglie waves by the fine grating ridges.

Non-SCF hybrid DFT reaction probabilities reproduce SCF results with near-chemical accuracy; non-SCF reaction barriers are higher. Computation time is reduced by more than an order of magnitude going from an SCF to non-SCF hybrid.

Collision between an F-atom recoiling along the red arrow and a co-adsorbed allyl radical on Cu(110) leads to unidirectional rotation of the allyl, clockwise or anti-clockwise, as the result of an abortive abstraction reaction.

Ion–molecule reactions are an essential contributor to the chemistry of a diverse range of environments. Here we study the effects of isomeric structure and ionic character on the ion–molecule reaction between C₃H₄ isomers and Xe⁺ and O₂⁺ ions.