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The rotational spectrum of this reactive species, which contains a highly strained four-membered ring, has been measured from 9 to 735 GHz. Over 3800 transitions for the ground vibrational state of the normal isotopologue of cyclobutenone were measured, assigned, and least-squares fit to sextic distorted-rotor A- and S-reduced Hamiltonians in the Ir representation, providing a complete set of quartic and sextic centrifugal distortion parameters. Rotational transitions for each of the singly substituted heavy-atom isotopologues were measured at natural abundance. Rotational constants (B0) for the six isotopologues were converted to equilibrium values (Be) using CCSD(T)\/cc-pCVTZ vibration-rotation interaction and electron-mass corrections, enabling the determination of partial reSE and rsSE structures that define all of the heavy-atom parameters of cyclobutenone. The two different sets of semi-experimental structural parameters (reSE and rsSE) are compared to the \u201cbest theoretical estimate\u201d (BTE re) values, which are derived from the CCSD(T)\/cc-pCV5Z re structure with additional corrections addressing finite basis set, higher-level electron correlation, and relativistic effects, as well as incorporating the diagonal Born\u2013Oppenheimer correction. Additionally, transitions of the four lowest-energy vibrationally excited states have been assigned, measured, and least-squares fit to A-reduced, sextic centrifugally distorted-rotor Hamiltonians in the Ir representation. While \u03bd21 was well-modeled using a single-state Hamiltonian, 2\u03bd21, \u03bd14, and \u03bd20 form an anharmonic- and Coriolis-coupled triad and were treated by a three-state Hamiltonian model.<\/jats:p>","DOI":"10.1021\/acs.jpca.6c04937","type":"journal-article","created":{"date-parts":[[2026,9,28]],"date-time":"2026-09-28T22:01:46Z","timestamp":1790632906000},"page":"7953-7965","source":"Crossref","is-referenced-by-count":0,"title":["Rotational Spectroscopy\nand Partial Semi-Experimental\nEquilibrium (\n                    <i>re<\/i>\n                    SE) and Substitution\n(\n                    <i>rs<\/i>\n                    SE) Structures of Cyclobutenone\n(\n                    <i>c<\/i>\n                    -C4H4O)"],"prefix":"10.1021","volume":"130","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-9385-8078","authenticated-orcid":true,"given":"Brian J.","family":"Esselman","sequence":"first","affiliation":[{"name":"University of Wisconsin\u2212Madison , , , ,","place":["Madison, Wisconsin, United States, 53706"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-6060-4664","authenticated-orcid":true,"given":"Michael J.","family":"Carrillo","sequence":"additional","affiliation":[{"name":"Kent State University , , , ,","place":["Kent, Ohio, United States, 44240"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-5319-8845","authenticated-orcid":true,"given":"Madeleine G.","family":"Atwood","sequence":"additional","affiliation":[{"name":"University of Wisconsin\u2212Madison , , , ,","place":["Madison, Wisconsin, United States, 53706"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Nitai P.","family":"Sahoo","sequence":"additional","affiliation":[{"name":"University of Florida , , , ,","place":["Gainesville, Florida, United States, 32611"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Zoe K.","family":"Deems","sequence":"additional","affiliation":[{"name":"Kent State University , , , ,","place":["Kent, Ohio, United States, 44240"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-5646-0300","authenticated-orcid":true,"given":"Michael J.","family":"Tubergen","sequence":"additional","affiliation":[{"name":"Kent State University , , , ,","place":["Kent, Ohio, United States, 44240"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-5167-8573","authenticated-orcid":true,"given":"Maria A.","family":"Zdanovskaia","sequence":"additional","affiliation":[{"name":"University of Wisconsin\u2212Madison , , , ,","place":["Madison, Wisconsin, United States, 53706"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-0865-4693","authenticated-orcid":true,"given":"R. Claude","family":"Woods","sequence":"additional","affiliation":[{"name":"University of Wisconsin\u2212Madison , , , ,","place":["Madison, Wisconsin, United States, 53706"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-1377-5107","authenticated-orcid":true,"given":"Robert J.","family":"McMahon","sequence":"additional","affiliation":[{"name":"University of Wisconsin\u2212Madison , , , ,","place":["Madison, Wisconsin, United States, 53706"]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2026,9,28]]},"reference":[{"key":"2026100809065446600_cit1","doi-asserted-by":"publisher","first-page":"9082","DOI":"10.1021\/acs.jpca.3c05510","article-title":"Theoretical and\nMicrowave Spectroscopic Characterization of Cyclobutenone: Planar\nor Puckered?","volume":"127","author":"Carrillo","year":"2023","journal-title":"J. Phys. Chem. 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Lett."},{"key":"2026100809065446600_cit5","doi-asserted-by":"publisher","first-page":"2517","DOI":"10.1021\/jo950899g","article-title":"Theoretical Predictions\nof Substituent Effects on the Thermal Electrocyclic Ring Openings\nof Cyclobutenones","volume":"61","author":"Niwayama","year":"1996","journal-title":"J. Org. Chem."},{"key":"2026100809065446600_cit6","doi-asserted-by":"publisher","first-page":"7233","DOI":"10.1021\/ja00095a028","article-title":"Ab Initio Calculations of the Ring\nOpening of Cyclobutene-1,2-diones and Conformational Properties of\nthe Product 1,3-Butadiene-1,4-diones (Bisketenes)","volume":"116","author":"McAllister","year":"1994","journal-title":"J. Am. Chem. Soc."},{"key":"2026100809065446600_cit7","doi-asserted-by":"publisher","first-page":"1096","DOI":"10.1021\/ja01633a048","article-title":"Cyclic Polyolefins. XXX. Reactions\nof Cycloo\u0308ctatrienone; Ethoxycycloo\u0308ctatetraene","volume":"76","author":"Cope","year":"1954","journal-title":"J. Am. Chem. 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Phys.\nLett."},{"key":"2026100809065446600_cit41","doi-asserted-by":"publisher","first-page":"7190","DOI":"10.1063\/1.476136","article-title":"The equilibrium structure and fundamental\nvibrational frequencies of dioxirane","volume":"108","author":"Stanton","year":"1998","journal-title":"J. Chem.\nPhys."},{"key":"2026100809065446600_cit42","volume-title":"Microwave Molecular Spectra","author":"Gordy","year":"1984","edition":"3rd"},{"key":"2026100809065446600_cit43","doi-asserted-by":"publisher","first-page":"17","DOI":"10.1119\/1.1933338","article-title":"Determination\nof Molecular Structure from Microwave Spectroscopic Data","volume":"21","author":"Kraitchman","year":"1953","journal-title":"Am. J. Phys."},{"key":"2026100809065446600_cit44","doi-asserted-by":"publisher","first-page":"430","DOI":"10.1016\/0022-2852(81)90036-9","article-title":"Extending\nKraitchman\u2019s equations","volume":"89","author":"Rudolph","year":"1981","journal-title":"J. Mol. 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Spectrosc."},{"key":"2026100809065446600_cit51","doi-asserted-by":"publisher","first-page":"1687","DOI":"10.1080\/00268970410001725785","article-title":"Completing\nthe picture in the rovibrational\nanalysis of chlorodifluoromethane (CHClF2): \u03bd3 and \u03bd8","volume":"102","author":"Christopher","year":"2004","journal-title":"Mol. Phys."},{"key":"2026100809065446600_cit52","doi-asserted-by":"publisher","first-page":"13","DOI":"10.1016\/j.jms.2016.01.014","article-title":"Millimetre wave\nrotational spectrum of glycolic acid","volume":"321","author":"Kisiel","year":"2016","journal-title":"J. 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