The position of deuterium in HOD-NNO as determined by structural and nuclear quadrupole coupling constants

The Journal of Chemical Physics
Daniel A ObenchainWilliam Klemperer

Abstract

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.

References

Nov 30, 1999·Journal of Molecular Spectroscopy·J K WatsonW Ulrich
Sep 23, 2014·The Journal of Chemical Physics·G S GrubbsStewart E Novick

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Citations

Mar 18, 2016·The Journal of Physical Chemistry. a·Steven Ray SalmonJoseph R Lane

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