Details
| Original language | English |
|---|---|
| Pages (from-to) | 54-60 |
| Number of pages | 7 |
| Journal | Journal of molecular spectroscopy |
| Volume | 280 |
| Issue number | 1 |
| Publication status | Published - Oct 2012 |
Abstract
The rotational supersonic-jet Fourier transform microwave (FT-MW) spectra of the aromatic 2,6-difluorophenol (DFP) have been recorded and analyzed in the frequency range of 8-26 GHz. A new design of broadband FT-MW spectroscopy with in-phase/quadrature-phase-modulation passage-acquired-coherence technique (IMPACT) has been used to obtain the spectra rapidly at high-resolution, obsoleting subsequent measurements with a resonator spectrometer. The structural analysis shows that the H-atom of the hydroxyl-group is located in the benzene plane forming an intramolecular hydrogen bond with one of the F-atoms. Due to the tunneling motion of this H-atom between two the equivalent positions, a large part of the rotational transitions are split into two signals being separated by ∼17 MHz. The rotational constants, centrifugal distortion constants and the Coriolis coupling constant have been determined.
Keywords
- Broadband fast-passage spectrometer, Internal rotation, Large amplitude motions, Microwave spectroscopy, Rotational spectrum, Supersonic jet
ASJC Scopus subject areas
- Physics and Astronomy(all)
- Atomic and Molecular Physics, and Optics
- Chemistry(all)
- Spectroscopy
- Chemistry(all)
- Physical and Theoretical Chemistry
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In: Journal of molecular spectroscopy, Vol. 280, No. 1, 10.2012, p. 54-60.
Research output: Contribution to journal › Article › Research › peer review
}
TY - JOUR
T1 - Rapid capture of large amplitude motions in 2,6-difluorophenol
T2 - High-resolution fast-passage FT-MW technique
AU - Jahn, Michaela K.
AU - Dewald, David A.
AU - Wachsmuth, Dennis
AU - Grabow, Jens Uwe
AU - Mehrotra, Suresh C.
N1 - Funding Information: We want to acknowledge the financial support from the Alexander Von Humboldt Stiftung (AvH-Foundation), the Land Niedersachsen and the Deutsche Forschungsgemeinschaft (DFG).
PY - 2012/10
Y1 - 2012/10
N2 - The rotational supersonic-jet Fourier transform microwave (FT-MW) spectra of the aromatic 2,6-difluorophenol (DFP) have been recorded and analyzed in the frequency range of 8-26 GHz. A new design of broadband FT-MW spectroscopy with in-phase/quadrature-phase-modulation passage-acquired-coherence technique (IMPACT) has been used to obtain the spectra rapidly at high-resolution, obsoleting subsequent measurements with a resonator spectrometer. The structural analysis shows that the H-atom of the hydroxyl-group is located in the benzene plane forming an intramolecular hydrogen bond with one of the F-atoms. Due to the tunneling motion of this H-atom between two the equivalent positions, a large part of the rotational transitions are split into two signals being separated by ∼17 MHz. The rotational constants, centrifugal distortion constants and the Coriolis coupling constant have been determined.
AB - The rotational supersonic-jet Fourier transform microwave (FT-MW) spectra of the aromatic 2,6-difluorophenol (DFP) have been recorded and analyzed in the frequency range of 8-26 GHz. A new design of broadband FT-MW spectroscopy with in-phase/quadrature-phase-modulation passage-acquired-coherence technique (IMPACT) has been used to obtain the spectra rapidly at high-resolution, obsoleting subsequent measurements with a resonator spectrometer. The structural analysis shows that the H-atom of the hydroxyl-group is located in the benzene plane forming an intramolecular hydrogen bond with one of the F-atoms. Due to the tunneling motion of this H-atom between two the equivalent positions, a large part of the rotational transitions are split into two signals being separated by ∼17 MHz. The rotational constants, centrifugal distortion constants and the Coriolis coupling constant have been determined.
KW - Broadband fast-passage spectrometer
KW - Internal rotation
KW - Large amplitude motions
KW - Microwave spectroscopy
KW - Rotational spectrum
KW - Supersonic jet
UR - http://www.scopus.com/inward/record.url?scp=84867689603&partnerID=8YFLogxK
U2 - 10.1016/j.jms.2012.07.006
DO - 10.1016/j.jms.2012.07.006
M3 - Article
AN - SCOPUS:84867689603
VL - 280
SP - 54
EP - 60
JO - Journal of molecular spectroscopy
JF - Journal of molecular spectroscopy
SN - 0022-2852
IS - 1
ER -