0000000000144523
AUTHOR
Gisbert Winnewisser
Gas-phase detection of HSOH: synthesis by flash vacuum pyrolysis of di-tert-butyl sulfoxide and rotational-torsional spectrum.
Gas-phase oxadisulfane (HSOH), the missing link between the well-known molecules hydrogen peroxide (HOOH) and disulfane (HSSH), was synthesized by flash vacuum pyrolysis of di-tert-butyl sulfoxide. Using mass spectrometry, the pyrolysis conditions have been optimized towards formation of HSOH. Microwave spectroscopic investigation of the pyrolysis products allowed-assisted by high-level quantum-chemical calculations--the first measurement of the rotational-torsional spectrum of HSOH. In total, we have measured approximately 600 lines of the rotational-torsional spectrum in the frequency range from 64 GHz to 1.9 THz and assigned some 470 of these to the rotational-torsional spectrum of HSOH …
The ground state rotational spectrum of SO2F2
Abstract The analysis of the ground state rotational spectrum of SO 2 F 2 [K. Sarka, J. Demaison, L. Margules, I. Merke, N. Heineking, H. Burger, H. Ruland, J. Mol. Spectrosc. 200 (2000) 55] has been performed with the Watson’s Hamiltonian up to sextic terms but shows some limits due to the A and S reductions. Since SO 2 F 2 is a quasi-spherical top, it can also be regarded as derived from an hypothetical XY 4 molecule. Thus we have developed a new tensorial formalism in the O (3)⊃ T d ⊃ C 2 v group chain (M. Rotger, V. Boudon, M. Loete, J. Mol. Spectrosc. 216 (2002) 297]. We test it on the ground state of this molecule using the same experimental data (10 GHz–1 THz region, J up to 99). Bot…
Gas-phase detection of discharge-generated DSOD
Abstract We report the first spectroscopic detection of perdeuterated 1-oxadisulfane, DSOD, generated in a radio-frequency plasma of D2S and D2O. The chain molecule DSOD produces a perpendicular-type spectrum, with well-known spectral features encountered in previous studies of geometrically related molecules, such as compact Q-branches, which are clearly recognizable. The arrangement of the transitions shaping the Q-branches usually provides sufficient proof for a clear-cut detection of a chain molecule such as DSOD. Guided by quantum chemical calculations, we have located the band center of the r Q 2 -branch of DSOD in the frequency region near 466.5 GHz using the Cologne terahertz spectr…