THz Spectrum of Methanol-D4 and Microwave Spectrum of Methanol-D1 |
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Authors: | Indranath Mukhopadhyay and Y B Duan |
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Institution: | (1) College of Natural Sciences, Dakota State University, 820 N. Washington Ave, Madison, SD, 57042;(2) University of British Columbia, Vancouver, BC, Canada |
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Abstract: | The sub-THz spectra of CD3OD have been observed in the frequency ranges of 461-486 GHz and 596-610 GHz using the Backward Wave Oscillator based Technique. The 218 transitions of CD3OD are newly assigned to J=31 and K=12 in the first three torsional states (n=2). The assigned lines include several new series of both a-type and b-type transitions. These THz transitions combined with the previous published millimeter-wave (MMW) and microwave (MW) data and recently observed high resolution Fourier transform far infrared (FIR) spectra have been used in a global fit. The data set contains 1320 MW, MMW, SMMW and FIR transitions with n=2, J=31 and K=12. Using the reduced torsion-rotational Hamiltonian with 67 parameters the fit converges with an RMS deviation of 277 kHz for the MW transitions and of 0.00024 cm-1 for the FIR transitions. Thus molecular parameters are well determined. The MW spectrum of CH2DOH (in the range 97.7 -118.0 and 128.5-146.5 GHz) is also presented which will help astronomers for astrophysical detection and theoretical spectroscopists to get further information on torsion-rotation-vibration interaction in an internal rotor with an asymmetric top. |
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Keywords: | Hamiltonian Internal Rotation Energy Levels Optical Pumping Lasers IVR PES |
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