Production and microwave spectra of dithioformic acid, HCSSH

Bak, Børge; Nielsen, Ole John; Svanholt, Henrik

doi:10.1016/0022-2852(78)90233-3

Cited by 28 publications

(26 citation statements)

References 10 publications

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“…(tr)-HCSSH: the spectrum of dithioformic acid has been studied by Bak et al (1978), who assigned the rotational transitions of this species in its ground state to a trans and cis rotamer. We provide an upper limit for the column densitiy of (tr)-HCSSH (more stable) N ≤ 3.6 × 10 13 cm −2 .…”

Section: Other Sulfur-bearing Moleculesmentioning

confidence: 99%

A line confusion-limited millimeter survey of Orion KL

Esplugues

Tercero

Cernicharo

et al. 2013

A&A

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Context. We present a study of the sulfur-bearing species detected in a line confusion-limited survey towards Orion KL performed with the IRAM 30-m telescope in the frequency range 80−281 GHz. Aims. This study is part of an analysis of the line survey divided into families of molecules. Our aim is to derive accurate physical conditions, as well as molecular abundances, in the different components of Orion KL from observed SO and SO 2 lines. Methods. As a starting point, we assumed local thermodynamic equilibrium (LTE) conditions obtain rotational temperatures. We then used a radiative transfer model, assuming either LVG or LTE excitation to derive column densities of these molecules in the different components of Orion KL. = 1 and for several undetected sulfur-bearing species. In addition, we present 2 × 2 maps around Orion IRc2 of SO 2 transitions with energies from 19 to 131 K and also maps with four transitions of SO, 34 SO, and 34 SO 2 . We observe an elongation of the gas along the NE-SW direction. An unexpected emission peak appears at 20.5 km s −1 in most lines of SO and SO 2 . A study of the spatial distribution of this emission feature shows that it is a new component of a few arcseconds (∼5 ) in diameter, which lies ∼4 west of IRc2. We suggest the emission from this feature is related to shocks associated to the BN object. Conclusions. The highest column densities for SO and SO 2 are found in the high-velocity plateau (a region dominated by shocks) and in the hot core. These values are up to three orders of magnitude higher than the results for the ridge components. We also find high column densities for their isotopologues in both components. Therefore, we conclude that SO and SO 2 are good tracers, not only of regions affected by shocks, but also of regions with warm dense gas (hot cores).

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Section: Other Sulfur-bearing Moleculesmentioning

confidence: 99%

A line confusion-limited millimeter survey of Orion KL

Esplugues

Tercero

Cernicharo

et al. 2013

A&A

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“…They are compared with the corresponding experimental [10,18,[22][23][24] or theoretical data [10,13,[16][17][18][19] whenever available. Figures 2 and 4 are given by the virtual multi-frequency spectrometer, VMS [36,37] .…”

Section: Resultsmentioning

confidence: 99%

“…The order of energy is in agreement with the results from Refs. [13,17,23]: 2tt-CH2S2>2tc-CH2S2>2cc-CH2S2>cis-HC(=S)SH>trans-HC(=S)SH. The most stable isomer is trans-HC(=S)SH as the intramolecular effects of 𝜋 conjugation and hydrogen bonding [14,19] .…”

Section: Geometry Structures Dipole Moments and Energiesmentioning

confidence: 95%

“…As far as the authors know, there are some experimental papers which focused on vibrational or rotational spectra for CH2S2 isomers [10,18,[22][23][24] . In 1971, the IR spectrum of trans-HC(=S)SH was firstly reported in a short communication [24] , and several vibrational wave numbers were determined without band assignment.…”

Section: Introductionmentioning

confidence: 99%

“…Six and four fundamental frequencies were assigned for trans-and cis-HC(=S)SH, respectively. In 1978, the rotational transitions of ground state of DTFA were firstly identified using microwave spectrum in the region of 18-40 GHz by Bak et al [23] . The original rotational spectroscopy parameters of DTFA were determined, such as ground state rotational constants ( 0 A , 0 B , and 0 C ), two quartic centrifugal distortion constants ( J  and JK  ), asymmetry 3 parameter  , and inertial defects  .…”

Section: Introductionmentioning

confidence: 99%

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Spectroscopic constants and anharmonic force field of dithioformic acid and its isomers: a theoretical study

Pang

Song

Sun

et al. 2021

Preprint

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The potential astronomical interest dithioformic acid (trans-HC(=S)SH) exists five isomers and has received considerable attention of astronomical observation in recent years. The different positions of H atoms of five isomers lead to diverse point groups, dipole moments, and spectroscopic constants. The anharmonic force field and spectroscopic constants of them are calculated using CCSD(T) and B3LYP employing correlation consistent basis sets. Molecular structures, dipole moments, rotational constants, and fundamental frequencies of trans-HC(=S)SH are compared with the available experimental data. The B3LYP/Gen=5 and CCSD(T)/Gen=Q results can reproduce them well. Molecular structures, dipole moments, relative energies, spectroscopic constants of cis-HC(=S)SH and dithiohydroxy carbene (DTHC) are also calculated. The new data obtained in this study are expected to guide the future high resolution experimental work and to assist astronomical search for CH2S2.

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