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A sample of solid H\n                    <jats:sub>2<\/jats:sub>\n                    CO\n                    <jats:sub>3<\/jats:sub>\n                    , prepared by electron irradiation of water\u2013carbon dioxide ice, shows characteristics of both amorphous and crystalline H\n                    <jats:sub>2<\/jats:sub>\n                    CO\n                    <jats:sub>3<\/jats:sub>\n                    in the infrared spectrum. To rationalize the experimentally observed redshift in the UV\u2013Vis spectra between monomer and bulk H\n                    <jats:sub>2<\/jats:sub>\n                    CO\n                    <jats:sub>3<\/jats:sub>\n                    , a systematic computational study is devised using time\u2010dependent density functional theory. H\n                    <jats:sub>2<\/jats:sub>\n                    CO\n                    <jats:sub>3<\/jats:sub>\n                    is investigated from the monomer to (H\n                    <jats:sub>2<\/jats:sub>\n                    CO\n                    <jats:sub>3<\/jats:sub>\n                    )\n                    <jats:sub>n<\/jats:sub>\n                    clusters, with n up to 66; in addition regular oligomer arrangements derived from previously proposed ambient\u2010pressure H\n                    <jats:sub>2<\/jats:sub>\n                    CO\n                    <jats:sub>3<\/jats:sub>\n                    crystal structures are also examined. The calculations explain the UV\u2013Vis absorption of solid carbonic acid, which is redshifted by \u22482\u2009eV and \u22485\u2009eV compared to the experimentally observed adiabatic ionization energy of the H\n                    <jats:sub>2<\/jats:sub>\n                    CO\n                    <jats:sub>3<\/jats:sub>\n                    monomer. It is highlighted how these shifts emerge due to 1) increasing cluster size, 2) nonplanar arrangements, and 3) noncovalent interactions between H\n                    <jats:sub>2<\/jats:sub>\n                    CO\n                    <jats:sub>3<\/jats:sub>\n                    chains and sheets. The study aims to establish spectrum\u2010to\u2010structure relationships and serves as computational reference data for astrochemical applications in the absence of experimental laboratory data of H\n                    <jats:sub>2<\/jats:sub>\n                    CO\n                    <jats:sub>3<\/jats:sub>\n                    oligomers.\n                  <\/jats:p>","DOI":"10.1002\/cphc.202500282","type":"journal-article","created":{"date-parts":[[2025,8,4]],"date-time":"2025-08-04T21:11:26Z","timestamp":1754341886000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":1,"title":["UV\u2013Vis Spectra of Carbonic Acid: Rationalizing Experimental Redshifts between Monomer and Bulk based on (H\n                    <sub>2<\/sub>\n                    CO\n                    <sub>3<\/sub>\n                    )\n                    <sub>n<\/sub>\n                    Calculations"],"prefix":"10.1002","volume":"26","author":[{"given":"Dennis F.","family":"Dinu","sequence":"first","affiliation":[{"name":"Institute of Materials Chemistry TU Wien  Getreidemarkt 9\/165 Vienna 1060 Austria"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Bastian","family":"Klein","sequence":"additional","affiliation":[{"name":"Institute of Materials Chemistry TU Wien  Getreidemarkt 9\/165 Vienna 1060 Austria"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Chaojiang","family":"Zhang","sequence":"additional","affiliation":[{"name":"W. M. Keck Research Laboratory in Astrochemistry and Department of Chemistry University of Hawaii at Manoa  Honolulu Hawaii 96822 USA"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Radu A.","family":"Talmazan","sequence":"additional","affiliation":[{"name":"Institute of Materials Chemistry TU Wien  Getreidemarkt 9\/165 Vienna 1060 Austria"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Thomas","family":"Loerting","sequence":"additional","affiliation":[{"name":"Department of Physical Chemistry University of Innsbruck  Innrain 52 Innsbruck 6020 Austria"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Hinrich","family":"Grothe","sequence":"additional","affiliation":[{"name":"Institute of Materials Chemistry TU Wien  Getreidemarkt 9\/165 Vienna 1060 Austria"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-7233-7206","authenticated-orcid":false,"given":"Ralf I.","family":"Kaiser","sequence":"additional","affiliation":[{"name":"W. 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