The monodeuterated isotopologue of the sulfonium ion, the asymmetric species SH2D+, was produced in a magnetically confined negative glow discharge and detected for the first time by means of its rotational spectrum in the region 324–637 GHz. The determined rotational constants, along with those for the symmetric isotopologues and for SHD2+ obtained in previous measurements, enabled to compute a semiexperimental equilibrium structure, where the contribution of the zero-point vibrations is assumed from available ab initio calculations. In addition, thanks to the large body of quartic centrifugal distortion constants now available, the harmonic force field of the sulfonium ion has been refined by a least-squares procedure.
L. Dore, L. Bizzocchi, C. Degli Esposti (2009). Millimeter-wave spectroscopy of deuterated hydrogen sulfide, SH2D+. JOURNAL OF MOLECULAR SPECTROSCOPY, 254, 33-38 [10.1016/j.jms.2009.01.004].
Millimeter-wave spectroscopy of deuterated hydrogen sulfide, SH2D+
DORE, LUCA;BIZZOCCHI, LUCA;DEGLI ESPOSTI, CLAUDIO
2009
Abstract
The monodeuterated isotopologue of the sulfonium ion, the asymmetric species SH2D+, was produced in a magnetically confined negative glow discharge and detected for the first time by means of its rotational spectrum in the region 324–637 GHz. The determined rotational constants, along with those for the symmetric isotopologues and for SHD2+ obtained in previous measurements, enabled to compute a semiexperimental equilibrium structure, where the contribution of the zero-point vibrations is assumed from available ab initio calculations. In addition, thanks to the large body of quartic centrifugal distortion constants now available, the harmonic force field of the sulfonium ion has been refined by a least-squares procedure.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
