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The four conformers are interconvertible via rotation along the C\u2013O bond of methanol and the S\u2013H bond of H2S, with very small rotational barriers (&amp;lt;0.5\u00a0kcal mol\u22121). All four stable methanol\u2013H2S complexes have been experimentally identified for the first time in cold and solid argon and nitrogen matrices via spectral signatures in \u03bdO\u2212H and \u03bdS\u2212H regions, while an earlier study in a molecular beam could identify only the global minimum structure. To further investigate matrix effects, quantum chemical calculations were carried out for the methanol\u2013H2S complex embedded within an argon environment modeled as a face-centered cubic lattice, mimicking the solid matrix conditions. The rotational barriers were found to increase appreciably inside the model (&amp;gt;1.5\u00a0kcal mol\u22121). Rate constants for conformational interconversions revealed that populations in local minima rapidly transfer to the global minimum at low temperatures, while the same become prohibitively slow inside the model. This prediction aligns well with the trapping of hitherto unidentified local minima conformers in a matrix environment.<\/jats:p>","DOI":"10.1063\/5.0343443","type":"journal-article","created":{"date-parts":[[2026,8,5]],"date-time":"2026-08-05T15:35:44Z","timestamp":1785944144000},"update-policy":"https:\/\/doi.org\/10.1063\/aip-crossmark-policy-page","source":"Crossref","is-referenced-by-count":1,"title":["Exploring flat multi-minima potential energy surface by matrix isolation IR spectroscopy: Revisiting methanol\u2013H2S complex"],"prefix":"10.1063","volume":"165","author":[{"ORCID":"https:\/\/orcid.org\/0009-0001-5464-8756","authenticated-orcid":false,"given":"Ankita","family":"Kothari","sequence":"first","affiliation":[{"name":"Department of Chemistry, Malaviya National Institute of Technology Jaipur 1 , J L N Marg, Jaipur 302017,","place":["India"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-9733-5242","authenticated-orcid":false,"given":"Binod Kumar","family":"Oram","sequence":"additional","affiliation":[{"name":"Department of Chemistry, Malaviya National Institute of Technology Jaipur 1 , J L N Marg, Jaipur 302017,","place":["India"]},{"name":"School of Chemical Sciences, National Institute of Science Education and Research 2 , Bhubaneswar PIN-752050,","place":["India"]},{"name":"Homi Bhabha National Institute, Training School Complex 3 , Mumbai 400094,","place":["India"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0009-0003-4871-968X","authenticated-orcid":false,"given":"Monu","family":"Morwal","sequence":"additional","affiliation":[{"name":"Department of Chemistry, Malaviya National Institute of Technology Jaipur 1 , J L N Marg, Jaipur 302017,","place":["India"]},{"name":"Department of Chemical Science, Indian Institute of Science Education and Research Mohali 4 , SAS Nagar, Punjab 140306,","place":["India"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-4320-6231","authenticated-orcid":false,"given":"Biman","family":"Bandyopadhyay","sequence":"additional","affiliation":[{"name":"Department of Chemistry, Malaviya National Institute of Technology Jaipur 1 , J L N Marg, Jaipur 302017,","place":["India"]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"317","published-online":{"date-parts":[[2026,8,5]]},"reference":[{"issue":"2","key":"2026080511353770900_c1","doi-asserted-by":"publisher","first-page":"99","DOI":"10.1002\/prot.340090204","article-title":"Hydrogen bonds involving sulfur atoms in proteins","volume":"9","year":"1991","journal-title":"Proteins: Struct., Funct., Bioinf."},{"issue":"39","key":"2026080511353770900_c2","doi-asserted-by":"publisher","first-page":"10288","DOI":"10.1021\/acs.jpcb.6b08109","article-title":"Preferred hydrogen-bonding partners of cysteine: Implications for regulating Cys functions","volume":"120","year":"2016","journal-title":"J.\u00a0Phys. 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