0000000000144523

AUTHOR

Gisbert Winnewisser

showing 3 related works from this author

Gas-phase detection of HSOH: synthesis by flash vacuum pyrolysis of di-tert-butyl sulfoxide and rotational-torsional spectrum.

2003

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 …

Flash vacuum pyrolysisChemistryAb initio quantum chemistry methodsTotal angular momentum quantum numberOrganic ChemistryAnalytical chemistryMoleculeGeneral ChemistryRotational spectroscopyMass spectrometryCatalysisCis–trans isomerismIsotopomersChemistry (Weinheim an der Bergstrasse, Germany)
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The ground state rotational spectrum of SO2F2

2003

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…

Physicssymbols.namesakeFormalism (philosophy of mathematics)Quantum mechanicsRotational spectrumsymbolsRotational spectroscopyPhysical and Theoretical ChemistryGround stateHamiltonian (quantum mechanics)SpectroscopyAtomic and Molecular Physics and OpticsJournal of Molecular Spectroscopy
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Gas-phase detection of discharge-generated DSOD

2003

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…

PhysicsSpectrometerTerahertz radiationSpectrum (functional analysis)PlasmaMolecular physicsAtomic and Molecular Physics and OpticsSpectral lineGas phaseNuclear magnetic resonanceChain (algebraic topology)MoleculePhysical and Theoretical ChemistrySpectroscopyJournal of Molecular Spectroscopy
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