Blurring out hydrogen: The dynamical structure of teflic acid
2018-05-21 | journal article; research paper
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- Authors
- Herbers, S.; Obenchain, D. A. ; Kraus, P.; Wachsmuth, D.; Grabow, J.-U.
- Abstract
- The microwave spectra of 10 teflic acid isotopologues were recorded in the frequency range of 3-25 GHz using supersonic jet-expansion Fourier transform microwave spectroscopy. Despite being asymmetric in its equilibrium structure, the delocalization of the hydrogen atom leads to a symmetric top vibrational ground state structure. In this work, we present the zero point structure obtained from the experimental rotational constants and an approach to determine the semi-experimental equilibrium structure aided by ab initio data. The Te-O bond length determined in the equilibrium structure is accurate to the picometer and can be used as a benchmark for computational methods treating relativistic effects.
- Issue Date
- 21-May-2018
- Journal
- The Journal of Chemical Physics
- ISSN
- 0021-9606
- eISSN
- 1089-7690
- Language
- English