Millimeter Wave Rotational Spectrum and Centrifugal Distortion of Thioketene, H<sub>2</sub>C==C=S

Winnewisser, M.; Schäfer, Eckhard

doi:10.1515/zna-1980-0503

Cited by 23 publications

(13 citation statements)

References 0 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The three lowest-energy isomers in this family are H 2 CCS (thioketene), HCCSH (ethynethiol), and c-H 2 C 2 S (thiirene). The microwave and millimeter-wave spectrum of H 2 CCS has been previously reported by Winnewisser & Schäfer (1980), and several of the co-authors of the present work recently reported the laboratory spectrum of HCCSH from the microwave to sub-millimeter wavelengths (Lee et al 2018). Efforts to measure the spectrum of c-H 2 C 2 S are currently underway.…”

Section: Introductionsupporting

confidence: 71%

“…Thioketene (H 2 CCS) has a linear heavy-atom backbone with C 2v symmetry and ortho-para spin statistics. For this reason, it only has a-type rotational lines, but its dipole moment is sizable, 1.01(3) D (Winnewisser & Schäfer 1980). At low temperature, its rotational spectrum consists of relatively closely spaced triplets that are harmonically-related spaced by B + C, or about 11.2 GHz.…”

Section: Energetics and Spectroscopymentioning

confidence: 99%

See 1 more Smart Citation

Searches for Interstellar HCCSH and H₂CCS

McGuire

Shingledecker

Willis

et al. 2019

ApJ

View full text Add to dashboard Cite

A long standing problem in astrochemistry is the inability of many current models to account for missing sulfur content. Many relatively simple species that may be good candidates to sequester sulfur have not been measured experimentally at the high spectral resolution necessary to enable radioastronomical identification. On the basis of new laboratory data, we report searches for the rotational lines in the microwave, millimeter, and sub-millimeter regions of the sulfur-containing hydrocarbon HCCSH. This simple species would appear to be a promising candidate for detection in space owing to the large dipole moment along its b-inertial axis, and because the bimolecular reaction between two highly abundant astronomical fragments (CCH and SH radicals) may be rapid. An inspection of multiple line surveys from the centimeter to the far-infrared toward a range of sources from dark clouds to high-mass star-forming regions, however, resulted in non-detections. An analogous search for the lowest-energy isomer, H 2 CCS, is presented for comparison, and also resulted in non-detections. Typical upper limits on the abundance of both species relative to hydrogen are 10 −9 -10 −10 . We thus conclude that neither isomer is a major reservoir of interstellar sulfur in the range of environments studied. Both species may still be viable candidates for detection in other environments or at higher frequencies, providing laboratory frequencies are available.

show abstract

Section: Introductionsupporting

confidence: 71%

Section: Energetics and Spectroscopymentioning

confidence: 99%

Searches for Interstellar HCCSH and H₂CCS

McGuire

Shingledecker

Willis

et al. 2019

ApJ

View full text Add to dashboard Cite

show abstract

“…H 2 CCS.-For this molecule, we derived its line frequencies with the rotational constants given in Winnewisser et al (1980); some distortion constants were fixed to the value obtained from infrared data by McNaughton (1996). The dipole moment (μ = 1.02D) was taken from Georgiou et al (1979).…”

Section: Non-detected Cs-bearing Moleculesmentioning

confidence: 99%

A line confusion limited millimeter survey of Orion KL I. Sulfur carbon chains

Tercero

Cernicharo

Pardo

et al. 2010

A&A

155

250

View full text Add to dashboard Cite

We perform a sensitive (line confusion limited), single-side band spectral survey towards Orion KL with the IRAM 30 m telescope, covering the following frequency ranges: 80−115.5 GHz, 130−178 GHz, and 197−281 GHz. We detect more than 14 400 spectral features of which 10 040 have been identified up to date and attributed to 43 different molecules, including 148 isotopologues and lines from vibrationally excited states. In this paper, we focus on the study of OCS, HCS + , H 2 CS, CS, CCS, C 3 S, and their isotopologues. In addition, we map the OCS J = 18−17 line and complete complementary observations of several OCS lines at selected positions around Orion IRc2 (the position selected for the survey). We report the first detection of OCS ν 2 = 1 and ν 3 = 1 vibrationally excited states in space and the first detection of C 3 S in warm clouds. Most of CCS, and almost all C 3 S, line emission arises from the hot core indicating an enhancement of their abundances in warm and dense gas. Column densities and isotopic ratios have been calculated using a large velocity gradient (LVG) excitation and radiative transfer code (for the low density gas components) and a local thermal equilibrium (LTE) code (appropriate for the warm and dense hot core component), which takes into account the different cloud components known to exist towards Orion KL, the extended ridge, compact ridge, plateau, and hot core. The vibrational temperature derived from OCS ν 2 = 1 and ν 3 = 1 levels is 210 K, similar to the gas kinetic temperature in the hot core. These OCS high energy levels are probably pumped by absorption of IR dust photons. We derive an upper limit to the OC 3 S, H 2 CCS, HNCS, HOCS + , and NCS column densities. Finally, we discuss the D/H abundance ratio and infer the following isotopic abundances: 12 C/ 13 C = 45 ± 20, 32 S/ 34 S = 20 ± 6, 32 S/ 33 S = 75 ± 29, and 16 O/ 18 O = 250 ± 135.

show abstract

“…Ab initio molecular orbital calculations on thioketene have predicted optimized geometries at the 6-31G* A candidate for interstellar detection, thioketene (11) and SDCI/DZ / P (12) levels of theory, and more (H 2 C|C|S) has been extensively studied by microwave recently MP2/TZP geometries and vibrational frequencies (1 -3) and millimeter-wave spectroscopy (4). Although have been reported (13).…”

Section: Introductionmentioning

confidence: 99%

“…levels are too strongly perturbed. The results of this fit are A true determination of Éz a 69 É is difficult, owing to the exsummarized in Table 4, along with the constants from previous tremely high correlation with A 6 and A 9 , the effect of the awork (4,8,9). The ground state combination differences used axis resonances with n 5 and n 8 , which were not taken into in Jarman's fit (8) were calculated from spectra of slightly account in this fit, and the fact that the values of the constants depend on which parameters are included in the fit.…”

mentioning

confidence: 99%