Probing Scattering Resonances in (Ultra)Cold Inelastic NO-He Collisions.

@article{Onvlee2016ProbingSR,
  title={Probing Scattering Resonances in (Ultra)Cold Inelastic NO-He Collisions.},
  author={Jolijn Onvlee and Ad van der Avoird and Gerrit C. Groenenboom and Sebastiaan Y. T. van de Meerakker},
  journal={The journal of physical chemistry. A},
  year={2016},
  volume={120 27},
  pages={
          4770-7
        }
}
We theoretically study inelastic collisions between NO radicals and He atoms at low collision energies, focusing on the occurrence of scattering resonances. We specifically investigate de-excitation of rotationally excited NO radicals (X (2)Π1/2, v = 0, j = 3/2, f) at collision energies ranging from 10(-3) to 20 cm(-1) and compute integral and differential cross sections using quantum mechanical close-coupling calculations. Although unconventional, we show that the measurement of rotational de… 
View on PubMed
theochem.ru.nl
10 Citations

Figures and Tables from this paper

10 Citations

Citation Type

Citation Type

Mapping partial wave dynamics in scattering resonances by rotational de-excitation collisions
One of the most important parameters in a collision is the ‘miss distance’ or impact parameter, which in quantum mechanics is described by quantized partial waves. Usually, the collision outcome is…
Imaging diffraction oscillations for inelastic collisions of NO radicals with He and D2.
TLDR
Differences in the differential cross sections directly reflect the larger size of D2 as compared to He, which is in excellent agreement with the cross sections obtained from quantum close-coupling scattering calculations based on accurate ab initio NO-He and NO-D2 potential energy surfaces.
State-to-State Di ff erential Cross Sections for Inelastic Collisions of NO Radicals with paraH 2 and ortho-D 2
We present state-to-state differential cross sections for collisions of NO molecules (XΠ1/2, j = 1/2f) with para-H2 and ortho-D2 molecules, at a collision energy of 510 and 450 cm−1, respectively.…
Differential cross sections and collision-induced rotational alignment in inelastic scattering of NO(X) by Xe
Fully $ \Lambda $ -doublet resolved differential cross sections and collision-induced rotational alignment moments have been measured for the NO(X)–Xe collision system at a collision energy of 519 cm…
Correlations in rotational energy transfer for NO–D2 inelastic collisions
We present a combined experimental and theoretical study of state-to-state inelastic collisions between NO (X 2Π1/2, j = 1/2, f) radicals and D2 (j = 0, 1, 2, 3) molecules at collision energies of…
State-to-State Differential Cross Sections for Inelastic Collisions of NO Radicals with para-H2 and ortho-D2
TLDR
The observed angular scattering distributions are in excellent agreement with the cross sections obtained from quantum close-coupling scattering calculations based on recently computed NO–H2 potential energy surfaces, except for excitation of NO into the j = 7/2f channel.
Intrabeam Scattering for Ultracold Collisions.
TLDR
A method to probe cold and ultracold chemistry in a single molecular beam by implementing a dual-slit chopper that can separately fix the velocities of the two species at the interaction region to establish the relative velocity is demonstrated.
Quantum tunneling in an exactly solvable double-barrier potential: barrier transmission near the zero energy
The one-dimensional wave equation is solved in the presence of a symmetric double-barrier potential. An exact, analytical solution is obtained for the scattering states. The transmission and…
IO(X2Π)-Ar cluster: ab initio potential energy surface and dynamical computations.
TLDR
The potential energy surfaces (PESs) of the doubly degenerate IO(X2Π)-Ar van der Waals system are mapped using single- and double-excitation coupled cluster approaches with non-iterative perturbation treatment of triple excitations extrapolated to the complete basis set (CBS) limit.
Diabatic states, nonadiabatic coupling, and the counterpoise procedure for weakly interacting open-shell molecules
We study nonadiabatic coupling in systems of weakly interacting open-shell molecules which have nearly degenerate electronic states and hence significant nuclear derivative couplings. By comparison…

References

SHOWING 1-10 OF 36 REFERENCES
Experimental search for scattering resonances in near cold molecular collisions
We review the experimental findings on scattering resonances in molecular collisions occurring in the energy domain equivalent to temperatures of a few Kelvin. We discuss the conditions required to…
Quantum dynamical resonances in low-energy CO(j = 0) + He inelastic collisions.
TLDR
The excellent agreement found confirms that the potential energy surfaces describing the CO-He van der Waals interaction are perfectly suitable for calculating state-to-state (de)excitation rate coefficients at the very low temperatures needed in chemical modelling of the interstellar medium.
Imaging resonances in low-energy NO-He inelastic collisions
TLDR
Slowing down two intersecting beams of helium atoms and nitric oxide molecules to a relative crawl revealed short-lived resonances that matched theoretical predictions remarkably well—a striking feat on both sides, given the challenge of accurately modeling NO's unpaired electron.
Scattering of Stark-decelerated OH radicals with rare-gas atoms
Abstract We present a combined experimental and theoretical study on the rotationally inelastic scattering of OH (X2Π3/2, J = 3/2, f) radicals with the collision partners He, Ne, Ar, Kr, Xe, and D2…
Observation of orbiting resonances in He((3)S(1)) + NH3 Penning ionization.
TLDR
The observation of shape resonances in the reactive scattering of a polyatomic molecule, NH3, is presented and no clear signature of the orbiting resonances is visible in the branching ratio between NH3 (+) and NH2 (+) formation.
Observation of Partial Wave Resonances in Low-Energy O2–H2 Inelastic Collisions
TLDR
The close agreement between experimental and theoretical results confirms the classically forbidden character of this collision-induced transition, which occurs exclusively in a purely quantum mechanical regime via shape and Feshbach resonances arising from partial waves with total angular momentum.
Rotationally inelastic collisions between a diatomic molecule in a 2Σ+ electronic state and a structureless target
We present the full close‐coupling formulation of the collision between a diatomic molecule in a 2Σ+ state and a structureless target. Due to the possibility of transitions which are inelastic in the…
Parity resolved State-to-state Cross Sections for Inelastic Scattering of NO CHI 2PI 1/2(v=20, J=0.5, elf) from He: A comparison between Crossed Molecular Beams Experiments and ab Initio Theory.
Relative state-to-state cross sections for inelastic collisions between NO X (2) Pi(1/2) (upsilon = 20, J = 0.5, e or f) and He have been determined in a crossed molecular beam setup at a collision…
Rotationally inelastic collisions between a diatomic molecule in a2Pi electronic state and a structureless target
We present the full close‐coupling formulation of the collision between a diatomic molecule in a 2Π state in the Hund’s case (a) limit and a structureless target. Due to the possibility of…
Appearance of low energy resonances in CO-para-H2 inelastic collisions.
TLDR
The experimental cross sections determined in the threshold region of the CO(j=0 → j=1) transition at 3.85  cm(-1) show resonance structures in good qualitative agreement with the theoretical ones, suggesting that the potential energy surface which describes the CO-H2 van der Waals interaction should be reinvestigated for good quantitative agreement.
...
1
2
3
4
...