Cite this publication
Obenchain, D. A., Frank, D. S., Novick, S. E. & Klemperer, W. (2015). The position of deuterium in HOD-NNO as determined by structural and nuclear quadrupole coupling constants. The Journal of Chemical Physics, 143(8), Article 084301. doi: https://doi.org/10.1063/1.4928687
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- Obenchain, Daniel A. ; Frank, Derek S.; Novick, Stewart E.; Klemperer, William
- Rotational spectra of the weakly bound H2O-N2O complex and its HOD-N2O isotopologue in a supersonic jet are reported. Rotational constants of the singly substituted deuterium in water and each singly substituted nitrogen-15 are presented. Combinations of isotopic data and high level ab initio calculations place the water in a similar position to those of the isoelectronic H2O-CO2 complex, with a slight tilt of the OH towards the NNO axis. The deuterium nuclear quadrupole coupling constant places the deuterium on the O-H axis quasi-parallel to the NNO axis.
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- The Journal of Chemical Physics