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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]
  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 Lab. (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.
Croft, James F. E., Balakrishnan, Naduvalath, Huang, Meng, & Guo, Hua. Unraveling the Stereodynamics of Cold Controlled HD-H2 Collisions. United States. doi:10.1103/PhysRevLett.121.113401.
Croft, James F. E., Balakrishnan, Naduvalath, Huang, Meng, and Guo, Hua. Tue . "Unraveling the Stereodynamics of Cold Controlled HD-H2 Collisions". United States. doi:10.1103/PhysRevLett.121.113401. https://www.osti.gov/servlets/purl/1529106.
@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 = {2018},
month = {9}
}

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Cited by: 6 works
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