The infrared spectrum of the He-C2D2 complex

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Journal titleJournal of Chemical Physics
Article number84312
SubjectOptical parametric oscillators; Potential energy; Quantum chemistry; Spectroscopy; Supersonic aerodynamics; Acetylene complex; Fundamental bands; Infrared spectrum; Intermolecular potential energy surfaces; Isoelectronic complexes; Jet expansion; Ro-vibrational energies; Spectral intensity; Parametric oscillators
AbstractSpectra of the helium-acetylene complex are elusive because this weakly bound system lies close to the free rotor limit. Previously, limited assignments of He-C2D2 transitions in the R(0) region of the ν3 fundamental band (≈2440 cm-1) were published. Here, new He-C2D2 infrared spectra of this band are obtained using a tunable optical parametric oscillator laser source to probe a pulsed supersonic slit jet expansion from a cooled nozzle, and the analysis is extended to the weaker and more difficult P(1) and R(1) regions. A term value approach is used to obtain a consistent set of "experimental" energy levels. These are compared directly with calculations using two recently reported ab initio intermolecular potential energy surfaces, which exhibit small but significant differences. Rovibrational energies for the He-C2H2 complex are also calculated using both surfaces. A Coriolis model, useful for predicting spectral intensities, is used to interpret the energy level patterns, and a comparison with the isoelectronic complex He-CO is made.
Publication date
PublisherAIP Publishing
AffiliationNational Research Council Canada; Security and Disruptive Technologies
Peer reviewedYes
NPARC number21275677
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Record identifier45a1ac63-48b0-4242-8980-e0c90876efe2
Record created2015-07-14
Record modified2016-05-09
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