Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
9589419 | Journal of Molecular Spectroscopy | 2005 | 7 Pages |
Abstract
The ground state spectrum of the formaldehyde D213CO molecule in the range from 25 to 360 cmâ1 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.
Related Topics
Physical Sciences and Engineering
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Physical and Theoretical Chemistry
Authors
Jarmo Lohilahti, Herkko Mattila, Veli-Matti Horneman, Filip PawÅowski,