6533b7dafe1ef96bd126df6c

RESEARCH PRODUCT

Gas-phase detection of HSOD and empirical equilibrium structure of oxadisulfane

Stephan SchlemmerSandra BrünkenJosef HahnOliver BaumFrank LewenThomas F. GiesenSimone EsserNiels GierseJürgen Gauss

subject

SpectrometerChemistrymedia_common.quotation_subjectOrganic ChemistryAnalytical chemistryAsymmetryMolecular physicsSpectral lineAnalytical ChemistryTerahertz spectroscopy and technologyInorganic ChemistryDipoleDeuteriumGround stateSpectroscopymedia_commonLine (formation)

description

We present the first gas phase spectra of singly deuterated oxadisulfane, HSOD, in its vibrational ground state. More than 100 transitions have been recorded with highest frequency accuracy using the Cologne Terahertz Spectrometer. The molecular parameters derived from a least squares fit analysis proof HSOD to be an almost accidental symmetric prolate top molecule with an asymmetry parameter kZK0.9985. Spectra of c-type and weaker b-type transitions have been recorded in the range from 716 to 772 GHz. The ratio of the dipole moments mc/mbZ2.4(3) has been derived from measured line intensities. The c-type transitions are split by the tunneling motion of a hindered internal rotation, whereas b-type transitions show no splitting within the Doppler limited line profiles. We derived the equilibrium molecular structure of oxadisulfane, HSOH, from experimental values of the rotational constants A0, B0, and C0 of HSOH, H 34 SOH, DSOD, and HSOD. The equilibrium rotational constants

https://doi.org/10.1016/j.molstruc.2006.02.037