Search

Fourier transform microwave spectroscopy is used to measure the rotational spectra of the [.sup.20.Ne] and [.sup.22.Ne] isotopomers of the Ne-dimethyl sulfide (DMS) rare gas dimer. An ab initio potential energy surface calculation has suggested a barrier of between 20 and 40 [cm.sup.-1] for the inversion motion, depending on the tunneling pathway taken by the Ne.

A combination of several experiments, ab initio studies and DFT calculations is employed to investigate the energies, stability and structure properties of radicals derived from organic sulfides containing an acetyl group after the Oh attack. The hydroxysulfuranyl radicals are shown to be converted into their respective C-centered radicals after the attack.

The technique of in situ diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS), quadrupole mass spectrometer (QMS) and density functional theory (DFT) calculation were used to study the heterogenous reaction of carbonyl sulfide (OCS) on magnesium oxide (MgO). OCS is catalytically oxidized by surface hydroxyl on MgO to produce carbon dioxide and hydrogen sulfide which in turn oxidized to sulfite and sulfate.

A procedure for the direct one-pot synthesis of beta-hydroxysulfides in good yields under neutral conditions from alkenes and thiophenols in the presence of aerial oxygen using beta-cyclodextrin in water is developed. The protocol, which dispenses the use of acid or base catalysts, allows the recovery of Beta-cyclodextrin catalyst and its reuse for a number of runs without any loss of activity.

Bis(trifluoroaceto) disulfide CF(sub 3)C(O)OSSOC(O)CF(sub 3) is prepared and studied by Raman, photoelectron spectroscopy (PES), and theoretical calculations. It is stated that molecule exhibits the same general trend observed in conformational studies of esters (-C(O)O-) and disulfides (-SS-).

A study is conducted to investigate the reaction of singlet oxygen with a series of thioanisoles, taking advantage of the fact that direct measurement of the quenching of (super 1)O2 allows the determination of a larger span of rate constant than previous less sensitive methods. The latest evidence suggest that protic additives, zeolites, and clays could make reluctant photooxidations of sulfides more efficient.