FT-FIR-spectrum and the ground state constants of D2CO |
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Authors: | Jarmo Lohilahti Herkko Mattila Filip Paw?owski |
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Institution: | a Infrared Research Group, Department of Physical Sciences, University of Oulu, P.O. Box 3000, FIN-90014, Finland b Department of Chemistry, University of Oslo, P.O.Box 1033, Blindern, N-0315 Oslo, Norway |
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Abstract: | The ground state spectrum of the formaldehyde D213CO molecule in the range from 25 to 360 cm−1 has been recorded by a Fourier transform infrared spectrometer. The quantum number limits of the assigned transitions are J = 6-54 and Ka = 0-16. The data was fitted into Watson’s A- and S-reduced Hamiltonians in Ir-representation up to eighth order. The determinable constants calculated from both reductions are compared. The standard deviation of the far infrared data is 3.0 MHz. The spectroscopic constants are also calculated to high accuracy at the CCSD(T)/cc-pVQZ level of ab initio theory and agree well with the experimental ones. |
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Keywords: | 33 20 Sn |
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