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Infrared Stark and Zeeman spectroscopy of OH–CO: The entrance channel complex along the OH + CO → trans-HOCO reaction pathway

Journal Article · · Journal of Chemical Physics
DOI:https://doi.org/10.1063/1.4963226· OSTI ID:1409062
 [1];  [2];  [3];  [4];  [2]
  1. Univ. of Georgia, Athens, GA (United States); University of Georgia, Athens, GA
  2. Univ. of Georgia, Athens, GA (United States)
  3. James Madison Univ., Harrisonburg, VA (United States)
  4. Univ. of Washington, Seattle, WA (United States)

Here, sequential capture of OH and CO by superfluid helium droplets leads exclusively to the formation of the linear, entrance-channel complex, OH-CO. This species is characterized by infrared laser Stark and Zeeman spectroscopy via measurements of the fundamental OH stretching vibration. Experimental dipole moments are in disagreement with ab initio calculations at the equilibrium geometry, indicating large-amplitude motion on the ground state potential energy surface. Vibrational averaging along the hydroxyl bending coordinate recovers 80% of the observed deviation from the equilibrium dipole moment. Inhomogeneous line broadening in the zero-field spectrum is modeled with an effective Hamiltonian approach that aims to account for the anisotropic molecule-helium interaction potential that arises as the OH-CO complex is displaced from the center of the droplet.

Research Organization:
Univ. of Georgia Research Foundation, Athens, GA (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Chemical Sciences, Geosciences & Biosciences Division
Grant/Contract Number:
SC0008086
OSTI ID:
1409062
Alternate ID(s):
OSTI ID: 1328586
Journal Information:
Journal of Chemical Physics, Journal Name: Journal of Chemical Physics Journal Issue: 12 Vol. 145; ISSN 0021-9606
Publisher:
American Institute of Physics (AIP)Copyright Statement
Country of Publication:
United States
Language:
English

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Automated assignment of rotational spectra using artificial neural networks journal September 2018
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