Measurements and Quasi-Quantum Modeling of the Steric Asymmetry and Parity Propensities in State-to-State Rotationally Inelastic Scattering of NO (2Π1/2) with D2

Taatjes, Craig A.; Gijsbertsen, Arjan; de Lange, Marc J.  L.; Stolte, Steven

doi:10.1021/jp0712405

Title: Measurements and Quasi-Quantum Modeling of the Steric Asymmetry and Parity Propensities in State-to-State Rotationally Inelastic Scattering of NO (²Π_1/2) with D₂

Journal Article · Sat Jun 02 00:00:00 EDT 2007 · Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, and General Theory

DOI:https://doi.org/10.1021/jp0712405· OSTI ID:1426986

Taatjes, Craig A. ^[1]; Gijsbertsen, Arjan ^[2]; de Lange, Marc J. L. ^[3]; Stolte, Steven ^[3]

Sandia National Lab. (SNL-CA), Livermore, CA (United States). Combustion Research Facility
FOM Inst. AMOLF, Amsterdam (Netherlands)
Vrije Univ., Amsterdam (Netherlands). Laser Centre. Dept. of Physical Chemistry. Faculty of Exact Sciences

In this paper, relative integrated cross sections are measured for spin-orbit-conserving, rotationally inelastic scattering of NO (²Π_1/2), hexapole-selected in the upper Λ-doublet level of the ground rotational state (j = 0.5), in collisions with D₂ at a nominal energy of 551 cm^-1. The final state of the NO molecule is detected by laser-induced fluorescence (LIF). The state-selected NO molecule is oriented with either the N end or the O end toward the incoming D₂ molecule by application of a static electric field E in the scattering region. This field is directed parallel or antiparallel to the relative velocity vector v. Comparison of signals taken for the different applied field directions gives the experimental steric asymmetry SA, defined by SA = (σ_v↑↓E - σ_v↑↑E)/(σ_v↑↓E + σ_v↑↑E), which is equal to within a factor of -1 to the molecular steric effect, S_i→f ≡ (σ_D₂→NO - σ_D₂→ON)/(σ_D₂→NO + σ_D₂→ON). The dependence of the integral inelastic cross section on the incoming Λ-doublet component is also measured as a function of the final rotational (j_final) and Λ-doublet (ε_final) state. The measured steric asymmetries are similar to those previously observed for NO-He scattering. Spin-orbit manifold-conserving collisions exhibit a larger propensity for parity conservation than their NO-He counterparts. The results are interpreted in the context of the recently developed quasi-quantum treatment (QQT) of rotationally inelastic scattering. The QQT predictions can be inverted to obtain a fitted hard-shell potential that reproduces the experimental steric asymmetry; this fitted potential gives an empirical estimate of the anisotropy of the repulsive interaction between NO and D₂. Finally, QQT computation of the differential cross section using this simple model potential shows reasonable agreement with the measured differential cross sections.

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Research Organization:: Sandia National Lab. (SNL-CA), Livermore, CA (United States); Vrije Univ., Amsterdam (Netherlands)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES); USDOE National Nuclear Security Administration (NNSA); Netherlands Organization for Scientific Research (NWO)

Grant/Contract Number:: AC04-94AL85000

OSTI ID:: 1426986

Report Number(s):: SAND2007-0694J; 524119

Journal Information:: Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, and General Theory, Vol. 111, Issue 31; ISSN 1089-5639

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 25 works

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Cold heteromolecular dipolar collisions Sawyer, Brian C.; Stuhl, Benjamin K.; Yeo, Mark arXiv https://doi.org/10.48550/arxiv.1008.5127	text	January 2010
A new perspective: imaging the stereochemistry of molecular collisions Aoiz, F. J.; Brouard, M.; Gordon, S. D. S. Physical Chemistry Chemical Physics, Vol. 17, Issue 45 https://doi.org/10.1039/c5cp03273c	journal	January 2015
Stereodynamics in NO(X) + Ar inelastic collisions Brouard, M.; Chadwick, H.; Gordon, S. D. S. The Journal of Chemical Physics, Vol. 144, Issue 22 https://doi.org/10.1063/1.4952649	journal	June 2016
Parity-Dependent Rotational Energy Transfer in CN(A²Π, ν = 4, j F₁ε) + N₂, O₂, and CO₂ Collisions McGurk, Stephen J.; Halpern, Joshua B.; McKendrick, Kenneth G. The Journal of Physical Chemistry A, Vol. 118, Issue 11 https://doi.org/10.1021/jp4123503	journal	March 2014

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