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

High-resolution infrared measurements on HSOH: Analysis of the OH fundamental vibrational mode

“…In our previous analysis of the HSOH structure [5] we used ab initio values for a which prove satisfactory by the here presented results. HSOH has two rotameric forms, which are separated by tunneling barriers with V cis % 2216 cm À1 and V trans % 1579 cm À1 [1].…”

“…Pure rotational spectra of the perdeuterated isotopologue D 32 SOD, produced in a rf-discharge of D 2 O and D 2 S were reported by Behnke et al [3] and later by Brü nken et al [4]. Baum and co-workers presented first gas phase spectra of a singly deuterated oxadisulfane, HSOD, in its vibrational ground state [5]. The authors also derived a semi-empirical equilibrium structure of HSOH from the ground state rotational constants A 0 , B 0 , and C 0 of HSOH, H 34 SOH, DSOD, HSOD and from calculated vibration-rotation interaction constants a A,B,C .…”

The hyperfine structure in the rotational spectra of bromofluoromethane: Lamb-dip technique and quantum-chemical calculations

“…These can be provided by quantum chemistry. In fact, it is well known that nowadays spectroscopic parameters, and among those also the hyperfine constants, can be accurately calculated by means of highly correlated methods in conjunction with large basis sets (see for example [2][3][4][5][6]). One important issue to be taken into consideration is whether the same good accuracy can be reached when atoms as large as bromine are involved.…”

The rotational gas-phase spectrum of trans- and cis-HSSOH at 100GHz

“…In fact, this molecule is the only oxasulfane studied by means of rotational spectroscopy so far. Its empirical equilibrium structure -determined by Baum et al [5] -proves HSOH to be the intermediate between its well studied brethren molecules H 2 S 2 [12] and H 2 O 2 [13].…”

“…Consequently, the physical and chemical properties of these species are not well-known. In the last years many experimental [1][2][3][4][5][6][7] and theoretical [1,[8][9][10][11] studies have been performed on the smallest member of the family of oxasulfanes, 1-oxadisulfane. In fact, this molecule is the only oxasulfane studied by means of rotational spectroscopy so far.…”