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The CC stretching band ν6 of allene-d4
Authors:J Plíva  K Rousan  SR Polo
Institution:Department of Physics, The Pennsylvania State University, University Park, Pennsylvania 16802 USA
Abstract:The infrared spectrum of C3D4 was measured in the region of the paralled band of the CC stretching vibration ν6 centered at ν0 = 1920.2332 cm?1 on a high-resolution Fourier transform spectrometer and deconvolved to a linewidth of 12 of the Doppler width (~0.0023 cm?1). The high resolution reveals the presence of strong perturbations in the K = 4 and K = 8 to 12 levels of the ν6 upper state. For a quantitative treatment of the observed transitions, a Hamiltonian matrix including six different perturbing states was constructed and used to refine the 6 spectroscopic constants of the ν6 state and 20 of the constants for the perturbing states. Measurement of the hot band ν6 + ν11 ? ν11 whose band center is at 1916.200 cm?1 yielded the anharmonic constant x6,11 = ?4.033 cm?1.
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