Anharmonic Vibrational Spectrum and Experimental Matrix Isolation Study of Thioformic Acid Conformers—Potential Candidates for Molecular Cloud and Solar System Observations?

Thioformic acid (TFA) is the sulfur analog of formic acid, simplest organic acid. It has three analogues HCOSH, HCSOH, and HCSSH, each them having two rotational isomeric (rotameric) forms: trans cis where form energetically more stable. In this article, we study computational energetics anharmonic vibrational spectrum TFA including overtone combination vibrations. We also studied experimental photoisomerization photodecomposition channels HCOSH molecules with different wavelengths. suggest that a potential containing candidate molecule for interstellar planetary observations discuss these in light radiation environments space. More generally, infrared driven photo-isomerization reactions may be common phenomenon such can affect chemical reaction pathways other molecules.