High Resolution Overtone Spectroscopy of the Acetylene Van Der Waals Dimer, 12(C_2H_2)_2

Details High Resolution Overtone Spectroscopy of the Acetylene Van Der Waals Dimer, 12(C_2H_2)_2 High Resolution Overtone Spectroscopy of the Acetylene Van Der Waals Dimer, 12(C_2H_2)_2

Jun 2011

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=2011mss..confeti03d&link_type=abstract

"International Symposium On Molecular Spectroscopy, 66th Meeting, Held 20-24 June, 2011 at Ohio State University. http://molspec

Physics

Infrared/Raman

Scientific paper

CW-cavity ring down spectroscopy was used to record in a free jet expansion the spectrum of the absorption band in (12C_2H_2)_2 with origin at 6547.6 Cm-1. It is a perpendicular band and corresponds to 2CH excitation in the hat unit of the T-shaped dimer. Calibration (better than ±1× 10-3 Cm-1 accuracy) and ring-down time (130 μs) were improved compared to a previous contribution, and a line-by-line analysis was undertaken. Three series of lines were identified involving levels with A1^+, E^+ and B1^+ tunneling symmetries, confirming the spectral and symmetry analyses reported in the literature for the 1CH excitation band Fraser et al., J. Chem. Phys. 1988, 89, 6028-6045. 164 vibration-rotation-tunneling lines were assigned in the K_a'-K_a''= 2-3, 0-1, 2-1 and 4-3 sub-bands and effective rigid rotor vibration-rotation constants were obtained by simultaneously fitting 1CH and 2CH lines from the same symmetry series. Perturbations affecting the K_a stacks, in particular, are reported. The tunneling frequency in 2CH is estimated to be ν2CHtunn. = 270 MHz for the K_a = 0 stack. The rotational temperature is determined to be 23 K from relative line intensities and the half lifetime of the dimer in the 2CH hat state is estimated to 1 ns from individual line widths.
Didriche et al., Mol. Phys. 2010, 108, 2158-2164
Fraser et al., J. Chem. Phys. 1988, 89, 6028-6045

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