Quantum Chemical Rovibrational Spectroscopic Data for Possible Observation of Thiocarbonic Acid (H ₂ CS ₃ ) in Interstellar Environments

Megan McKissick

doi:10.1039/d5cp03877d

January 1, 2025Physical Chemistry Chemical Physics

Quantum Chemical Rovibrational Spectroscopic Data for Possible Observation of Thiocarbonic Acid (H ₂ CS ₃ ) in Interstellar Environments

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Key Points

Quantum chemical data indicates potential detection of thiocarbonic acid in space, and highlights its relevance to astrochemistry.
The second-lowest conformer of thiocarbonic acid possesses a dipole moment of 2.17 D, hinting at its observational prospects.
This analysis focuses on the energy states of thiocarbonic acid conformers to enhance understanding of interstellar chemistry.
Further studies are needed to explore its presence in cosmic environments, demonstrating its significance in the field.

Implication

Analysis reveals quantum chemical data on thiocarbonic acid, suggesting its possible detection in interstellar environments.

Abstract

The second-lowest conformer of thiocarbonic acid ( cis - trans -H 2 CS 3 ) lies 0.64 kcal mol -1 above the global minimum and possesses a 2.17 D dipole moment compared to the 0.75 D dipole moment of...

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Megan McKissick (2025) studied this question.

synapsesocial.com/papers/693624c34fa91c937236cc53 https://doi.org/10.1039/d5cp03877d

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Quantum Chemical Rovibrational Spectroscopic Data for Possible Observation of Thiocarbonic Acid (H ₂ CS ₃ ) in Interstellar Environments

Key Points

Implication

Abstract

Discussion

Cite This Study

Quantum Chemical Rovibrational Spectroscopic Data for Possible Observation of Thiocarbonic Acid (H ₂ CS ₃ ) in Interstellar Environments

Key Points

Implication

Abstract

Discussion

Cite This Study

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