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Title: Unraveling the Stereodynamics of Cold Controlled HD - H 2 Collisions

Abstract

Measuring inelastic rates with partial-wave resolution requires temperatures close to a Kelvin or below, even for the lightest molecule. In a recent experiment, Perreault, Mukherjee, and Zare [Nat. Chem. 10, 561 (2018).] studied collisional relaxation of excited HD molecules in the v=1, j=2 state by para- and ortho-H2 at a temperature of about 1 K, extracting the angular distribution of scattered HD in the v=1, j=0 state. By state preparation of the HD molecules, control of the angular distribution of scattered HD was demonstrated. Here, we report a first-principles simulation of that experiment which enables us to attribute the main features of the observed angular distribution to a single L=2 partial-wave shape resonance. Finallly, our results demonstrate important stereodynamical insights that can be gained when numerically exact quantum scattering calculations are combined with experimental results in the few-partial-wave regime.

Authors:
 [1];  [1];  [2];  [2]
+ Show Author Affiliations
  1. Univ. of Nevada, Las Vegas, NV (United States). Dept. of Chemistry and Biochemistry
  2. Univ. of New Mexico, Albuquerque, NM (United States). Dept. of Chemistry and Chemical Biology
Publication Date:
Research Org.:
Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC)
Sponsoring Org.:
USDOE Office of Science (SC)
OSTI Identifier:
1529106
Alternate Identifier(s):
OSTI ID: 1469426
Grant/Contract Number:  
SC0015997
Resource Type:
Accepted Manuscript
Journal Name:
Physical Review Letters
Additional Journal Information:
Journal Volume: 121; Journal Issue: 11; Journal ID: ISSN 0031-9007
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

Citation Formats

Croft, James F. E., Balakrishnan, Naduvalath, Huang, Meng, and Guo, Hua. Unraveling the Stereodynamics of Cold Controlled HD-H2 Collisions. United States: N. p., 2018. Web. doi:10.1103/PhysRevLett.121.113401.
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Croft, James F. E., Balakrishnan, Naduvalath, Huang, Meng, & Guo, Hua. Unraveling the Stereodynamics of Cold Controlled HD-H2 Collisions. United States. https://doi.org/10.1103/PhysRevLett.121.113401
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Croft, James F. E., Balakrishnan, Naduvalath, Huang, Meng, and Guo, Hua. Tue . "Unraveling the Stereodynamics of Cold Controlled HD-H2 Collisions". United States. https://doi.org/10.1103/PhysRevLett.121.113401. https://www.osti.gov/servlets/purl/1529106.
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@article{osti_1529106,
title = {Unraveling the Stereodynamics of Cold Controlled HD-H2 Collisions},
author = {Croft, James F. E. and Balakrishnan, Naduvalath and Huang, Meng and Guo, Hua},
abstractNote = {Measuring inelastic rates with partial-wave resolution requires temperatures close to a Kelvin or below, even for the lightest molecule. In a recent experiment, Perreault, Mukherjee, and Zare [Nat. Chem. 10, 561 (2018).] studied collisional relaxation of excited HD molecules in the v=1, j=2 state by para- and ortho-H2 at a temperature of about 1 K, extracting the angular distribution of scattered HD in the v=1, j=0 state. By state preparation of the HD molecules, control of the angular distribution of scattered HD was demonstrated. Here, we report a first-principles simulation of that experiment which enables us to attribute the main features of the observed angular distribution to a single L=2 partial-wave shape resonance. Finallly, our results demonstrate important stereodynamical insights that can be gained when numerically exact quantum scattering calculations are combined with experimental results in the few-partial-wave regime.},
doi = {10.1103/PhysRevLett.121.113401},
journal = {Physical Review Letters},
number = 11,
volume = 121,
place = {United States},
year = {Tue Sep 11 00:00:00 EDT 2018},
month = {Tue Sep 11 00:00:00 EDT 2018}
}
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https://doi.org/10.1103/PhysRevLett.121.113401
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    Works referencing / citing this record:

    Controlling rotational quenching rates in cold molecular collisions
    journal, April 2019

    • Croft, J. F. E.; Balakrishnan, N.
    • The Journal of Chemical Physics, Vol. 150, Issue 16
    • DOI: 10.1063/1.5091576

    Rotational Quenching of HD in Collisions with H 2 : Resolving Discrepancies for Low-lying Rotational Transitions
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    • Balakrishnan, N.; Croft, J. F. E.; Yang, B. H.
    • The Astrophysical Journal, Vol. 866, Issue 2
    • DOI: 10.3847/1538-4357/aadda3
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