{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,7,30]],"date-time":"2026-07-30T09:17:34Z","timestamp":1785403054605,"version":"3.56.0"},"reference-count":60,"publisher":"MDPI AG","issue":"10","license":[{"start":{"date-parts":[[2026,5,7]],"date-time":"2026-05-07T00:00:00Z","timestamp":1778112000000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"DOI":"10.13039\/501100001809","name":"National Natural Science Foundation of China","doi-asserted-by":"publisher","award":["61575115"],"award-info":[{"award-number":["61575115"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001809","name":"National Natural Science Foundation of China","doi-asserted-by":"publisher","award":["12241408"],"award-info":[{"award-number":["12241408"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"publisher"}]},{"award":["61575115"],"award-info":[{"award-number":["61575115"]}],"id":[{"id":"https:\/\/ror.org\/01h0zpd94","id-type":"ROR","asserted-by":"publisher"}]},{"award":["12241408"],"award-info":[{"award-number":["12241408"]}],"id":[{"id":"https:\/\/ror.org\/01h0zpd94","id-type":"ROR","asserted-by":"publisher"}]},{"name":"PCSIRT","award":["IRT_17R70"],"award-info":[{"award-number":["IRT_17R70"]}]},{"DOI":"10.13039\/501100013314","name":"111 project","doi-asserted-by":"publisher","award":["111 project"],"award-info":[{"award-number":["111 project"]}],"id":[{"id":"10.13039\/501100013314","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100004480","name":"Shanxi Provincial Natural Science Foundation","doi-asserted-by":"publisher","award":["202303021222265"],"award-info":[{"award-number":["202303021222265"]}],"id":[{"id":"10.13039\/501100004480","id-type":"DOI","asserted-by":"publisher"}]},{"award":["202303021222265"],"award-info":[{"award-number":["202303021222265"]}],"id":[{"id":"https:\/\/ror.org\/04aqat463","id-type":"ROR","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["IJMS"],"abstract":"<jats:p>Rotational isomers (rotamers) of substituted aromatic molecules exhibit distinct physicochemical properties that are fundamental to understanding their reactivity and biological functions. However, resolving individual rotamers spectroscopically remains challenging due to their similar transition energies and overlapping spectral features. Herein, we report the conformer-specific identification and characterization of three stable rotamers of m-ethoxyphenol using a combination of resonance-enhanced multiphoton ionization (REMPI), hole-burning (HB) spectroscopy, and mass-analyzed threshold ionization (MATI) techniques, complemented by high-level quantum chemical calculations at the B3PW91\/aug-cc-pVTZ and G4 levels of theory. The S1 \u2190 S0 electronic origins of rotamers I, IV, and III were determined to be 35,966 \u00b1 2, 36,031 \u00b1 2, and 36,198 \u00b1 2 cm\u22121, respectively, while their corresponding adiabatic ionization energies (IEs) were precisely measured as 64,574 \u00b1 5, 64,122 \u00b1 5, and 64,994 \u00b1 5 cm\u22121. The vibrational spectra of both the S1 excited state and the D0 cationic ground state were assigned, with most active modes corresponding to in-plane benzene ring vibrations. Structural analysis reveals that the benzene ring undergoes slight expansion upon S1 \u2190 S0 excitation and contraction upon D0 \u2190 S1 ionization, while the overall molecular geometry remains remarkably similar across all three electronic states, a key factor underlying the excellent agreement between experimental and simulated Franck\u2013Condon spectra. Comparison with m-methoxyphenol demonstrates that the stronger electron-donating ability of the ethoxy group leads to systematically lower excitation and ionization energies. The distinct spectroscopic fingerprints established herein provide a definitive reference for identifying specific m-ethoxyphenol rotamers in future studies of this molecule and its complexes.<\/jats:p>","DOI":"10.3390\/ijms27104166","type":"journal-article","created":{"date-parts":[[2026,5,7]],"date-time":"2026-05-07T14:05:46Z","timestamp":1778162746000},"page":"4166","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":1,"title":["Spectroscopic Identification and Characterization of Three Rotamers of m-Ethoxyphenol: Combined REMPI, MATI, and Quantum Chemical Study"],"prefix":"10.3390","volume":"27","author":[{"given":"Xiateng","family":"Qin","sequence":"first","affiliation":[{"name":"State Key Laboratory of Quantum Optics Technologies and Devices, Institute of Laser Spectroscopy, Shanxi University, Taiyuan 030006, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Yan","family":"Zhao","sequence":"additional","affiliation":[{"name":"Department of Physics and Electronics Engineering, Jinzhong University, Jinzhong 030619, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Keke","family":"Zhang","sequence":"additional","affiliation":[{"name":"State Key Laboratory of Quantum Optics Technologies and Devices, Institute of Laser Spectroscopy, Shanxi University, Taiyuan 030006, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Rui","family":"Wang","sequence":"additional","affiliation":[{"name":"State Key Laboratory of Quantum Optics Technologies and Devices, Institute of Laser Spectroscopy, Shanxi University, Taiyuan 030006, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-3924-5465","authenticated-orcid":false,"given":"Zhonghua","family":"Ji","sequence":"additional","affiliation":[{"name":"State Key Laboratory of Quantum Optics Technologies and Devices, Institute of Laser Spectroscopy, Shanxi University, Taiyuan 030006, China"},{"name":"Collaborative Innovation Center of Extreme Optics, Shanxi University, Taiyuan 030006, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-7894-8748","authenticated-orcid":false,"given":"Changyong","family":"Li","sequence":"additional","affiliation":[{"name":"State Key Laboratory of Quantum Optics Technologies and Devices, Institute of Laser Spectroscopy, Shanxi University, Taiyuan 030006, China"},{"name":"Collaborative Innovation Center of Extreme Optics, Shanxi University, Taiyuan 030006, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Suotang","family":"Jia","sequence":"additional","affiliation":[{"name":"State Key Laboratory of Quantum Optics Technologies and Devices, Institute of Laser Spectroscopy, Shanxi University, Taiyuan 030006, China"},{"name":"Collaborative Innovation Center of Extreme Optics, Shanxi University, Taiyuan 030006, China"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"1968","published-online":{"date-parts":[[2026,5,7]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","first-page":"80","DOI":"10.1016\/0022-2852(92)90118-8","article-title":"Rotationally resolved fluorescence excitation spectra of phenol and 4-ethylphenol in a supersonic jet","volume":"152","author":"Martinez","year":"1992","journal-title":"J. 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