Infrared spectra of seeded hydrogen clusters: (paraH2)N-OCS, (orthoH2)N-OCS, and (HD)N-OCS, N=2-7

  1. Get@NRC: Infrared spectra of seeded hydrogen clusters: (paraH2)N-OCS, (orthoH2)N-OCS, and (HD)N-OCS, N=2-7 (Opens in a new window)
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Journal titleThe Journal Of Chemical Physics
Pages30873095; # of pages: 9
Subjecthydrogen compounds; infrared spectra; molecular clusters; rotational states; spectral line shift; vibrational states
AbstractInfrared spectra of hydrogen–carbonyl sulfide clusters containing paraH2, orthoH2, or HD have been studied in the 2060 cm−1 region of the C–O stretching vibration. The clusters were formed in pulsed supersonic jet expansions and probed using a tunable infrared diode laser spectrometer. Simple symmetric rotor type spectra were observed and assigned for clusters containing up to N = 7 hydrogen molecules. There was no resolved K structure, and Q-branch features were present for orthoH2 and HD but absent for paraH2. These characteristics can be rationalized in terms of near symmetric rotor structures, very low effective rotational temperatures (0.15 to 0.6 K), and nuclear spin statistics. The observed vibrational shifts were compared with those from recent observations on the same clusters embedded in helium nanodroplets. The observed rotational constants for the paraH2 clusters are in good agreement with a recent quantum Monte Carlo simulation. Some mixed clusters were also observed, such as HD–HD–He–OCS and paraH2–orthoH2–OCS.
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AffiliationNational Research Council Canada; NRC Steacie Institute for Molecular Sciences
Peer reviewedYes
NPARC number12338097
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Record identifierbed08c39-62b7-40dc-93ad-28cddf67ccd6
Record created2009-09-10
Record modified2017-03-23
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