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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 D 2

Abstract

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 D 2 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 D 2 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 observedmore » 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 D 2. Finally, QQT computation of the differential cross section using this simple model potential shows reasonable agreement with the measured differential cross sections.« less

Authors:
 [1];  [2];  [3];  [3]
  1. Sandia National Lab. (SNL-CA), Livermore, CA (United States). Combustion Research Facility
  2. FOM Inst. AMOLF, Amsterdam (Netherlands)
  3. Vrije Univ., Amsterdam (Netherlands). Laser Centre. Dept. of Physical Chemistry. Faculty of Exact Sciences
Publication Date:
Research Org.:
Sandia National Lab. (SNL-CA), Livermore, CA (United States); Vrije Univ., Amsterdam (Netherlands)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22); USDOE National Nuclear Security Administration (NNSA); Netherlands Organization for Scientific Research (NWO)
OSTI Identifier:
1426986
Report Number(s):
SAND2007-0694J
Journal ID: ISSN 1089-5639; 524119
Grant/Contract Number:  
AC04-94AL85000
Resource Type:
Accepted Manuscript
Journal Name:
Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, and General Theory
Additional Journal Information:
Journal Volume: 111; Journal Issue: 31; Journal ID: ISSN 1089-5639
Publisher:
American Chemical Society
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

Citation Formats

Taatjes, Craig A., Gijsbertsen, Arjan, de Lange, Marc J. L., and Stolte, Steven. 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. United States: N. p., 2007. Web. doi:10.1021/jp0712405.
Taatjes, Craig A., Gijsbertsen, Arjan, de Lange, Marc J. L., & Stolte, Steven. 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. United States. doi:10.1021/jp0712405.
Taatjes, Craig A., Gijsbertsen, Arjan, de Lange, Marc J. L., and Stolte, Steven. Sat . "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". United States. doi:10.1021/jp0712405. https://www.osti.gov/servlets/purl/1426986.
@article{osti_1426986,
title = {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},
author = {Taatjes, Craig A. and Gijsbertsen, Arjan and de Lange, Marc J. L. and Stolte, Steven},
abstractNote = {In this paper, relative integrated cross sections are measured for spin-orbit-conserving, rotationally inelastic scattering of NO (2Π1/2), 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 = (σv↑↓E - σv↑↑E)/(σv↑↓E + σv↑↑E), which is equal to within a factor of -1 to the molecular steric effect, Si→f ≡ (σD2→NO - σD2→ON)/(σD2→NO + σD2→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 (jfinal) and Λ-doublet (εfinal) 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.},
doi = {10.1021/jp0712405},
journal = {Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, and General Theory},
number = 31,
volume = 111,
place = {United States},
year = {2007},
month = {6}
}

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