Rotational and Rovibrational Spectra of H13C15NO in the Spectral Regions 18–40 GHz, 110–440 GHz, and 170–1850 cm−1
✍ Scribed by Jürgen Preusser; Roland Schermaul; Brenda P. Winnewisser; Manfred Winnewisser
- Publisher
- Elsevier Science
- Year
- 1996
- Tongue
- English
- Weight
- 807 KB
- Volume
- 176
- Category
- Article
- ISSN
- 0022-2852
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✦ Synopsis
The pure rotational and rovibrational spectra of H 13 C 15 NO, an isotopically substituted species of the quasilinear molecule fulminic acid, were investigated by means of microwave, millimeter-wave, and Fourier-transform infrared spectroscopy. The pure rotational spectra were measured in the spectral regions from 18 to 40 GHz and from 110 to 440 GHz. Direct l-type transitions were also observed in the region from 18 to 40 GHz. Approximately 500 line positions with microwave accuracy (10-40 kHz) were obtained in these spectral regions. The rovibrational spectrum was recorded in four segments covering the range from the far-infrared to the mid-infrared, 170-1850 cm 01 , using a Bruker IFS 120 HR interferometer with resolutions between 0.0017 and 0.0028 cm 01 . In total, more than 13 000 infrared lines were assigned. Power series constants for the assigned transitions are given. Spectroscopic parameters of an effective Hamiltonian for linear molecules were adjusted for the vibrational states (£ 1 £ 2 £ 3 £ 4 £ 5 ) Å (00000), ( 00001), ( 00002), ( 00003), ( 00004), ( 00010), ( 00011), (00100), and (00101). Several accidental resonances, known from other isotopomers of fulminic acid, were analyzed and the isotopic dependence of the resonance effects compared. The treatment of a calibration problem, which became obvious when data from the different infrared spectra were fitted simultaneously, is discussed.