The Astrophysical Journal · 2025 · 15 citations · 55 references
Natural SciencesChemistryPhysicsOrganic ChemistrySpectroscopic AnalysisSpectroscopyChemical Space ExplorationHeterocyclic ChemistryHeterocyclic CompoundsMolecular SpectroscopySulfur ChemistryColumn Density DistributionOrganic Molecule AnalysisOrganic Molecule DetectionSpectroscopic CharacterizationSulfur Chemistry In SpaceSulfur Compound DetectionSulfur Containing Organic Compounds
Abstract We present the spectroscopic characterization of cyclopropenethione in the laboratory and detect it in space using the Green Bank Telescope Observations of TMC-1: Hunting Aromatic Molecules survey. The detection of this molecule—the missing link in understanding the C 3 H 2 S isomeric family in TMC-1—completes the detection of all three low-energy isomers of C 3 H 2 S, as both CH 2 CCS and HCCCHS have been previously detected in this source. The total column density of this molecule ( N T of <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" overflow="scroll"> <mml:mn>5.7</mml:mn> <mml:msubsup> <mml:mrow> <mml:mn>2</mml:mn> </mml:mrow> <mml:mrow> <mml:mo>−</mml:mo> <mml:mn>1.61</mml:mn> </mml:mrow> <mml:mrow> <mml:mo>+</mml:mo> <mml:mn>2.65</mml:mn> </mml:mrow> </mml:msubsup> <mml:mo>×</mml:mo> <mml:mn>1</mml:mn> <mml:msup> <mml:mrow> <mml:mn>0</mml:mn> </mml:mrow> <mml:mrow> <mml:mn>10</mml:mn> </mml:mrow> </mml:msup> </mml:math> cm −2 at an excitation temperature of <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" overflow="scroll"> <mml:mn>4</mml:mn> <mml:mo>.</mml:mo> <mml:msubsup> <mml:mrow> <mml:mn>7</mml:mn> </mml:mrow> <mml:mrow> <mml:mo>−</mml:mo> <mml:mn>1.1</mml:mn> </mml:mrow> <mml:mrow> <mml:mo>+</mml:mo> <mml:mn>1.3</mml:mn> </mml:mrow> </mml:msubsup> </mml:math> K) is smaller than both CH 2 CCS and HCCCHS and follows nicely the relative dipole principle (RDP), a kinetic rule of thumb for predicting isomer abundances that suggests that, all other chemistry among a family of isomers being the same, the member with the smallest dipole ( μ ) should be the most abundant. The RDP now holds for the astronomical abundance ratios of both the S-bearing and O-bearing counterparts observed in TMC-1; however, CH 2 CCO continues to elude detection in any astronomical source.
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Yan Zhao, Donald G. Truhlar · Theoretical Chemistry Accounts · 2007 · 30K citations · Full text
Natural Sciences, Chemistry, Physics +17
Accurate Coulomb-fitting basis sets for H to Rn
Florian Weigend · Physical Chemistry Chemical Physics · 2006 · 8.8K citations
Natural Sciences, Chemistry, Physics +12