{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,2,16]],"date-time":"2026-02-16T03:12:21Z","timestamp":1771211541501,"version":"3.50.1"},"reference-count":55,"publisher":"MDPI AG","issue":"15","license":[{"start":{"date-parts":[[2024,7,23]],"date-time":"2024-07-23T00:00:00Z","timestamp":1721692800000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"name":"Italian Ministry of Research","award":["J43C21000050001"],"award-info":[{"award-number":["J43C21000050001"]}]},{"name":"Italian Ministry of Research","award":["2019-04332"],"award-info":[{"award-number":["2019-04332"]}]},{"name":"wedish Research Council","award":["J43C21000050001"],"award-info":[{"award-number":["J43C21000050001"]}]},{"name":"wedish Research Council","award":["2019-04332"],"award-info":[{"award-number":["2019-04332"]}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Molecules"],"abstract":"<jats:p>The rotational spectra of the 1:1 complex formed by acrolein and methanol and its deuterated isotopologues have been analyzed. Two stable conformations in which two hydrogen bonds between the two moieties are formed were detected. The rotational lines show a hyperfine structure due to the methyl group internal rotation in the complex and the V3 barriers hindering the motion were determined as 2.629(5) kJ mol\u22121 and 2.722(5) kJ mol\u22121 for the two conformations, respectively. Quantum mechanical calculations at the MP2\/aug-cc-pVTZ level and comprehensive analysis of the intermolecular interactions, utilizing NCI and SAPT approaches, highlight the driving forces of the interactions and allow the determination of the binding energies of complex formation.<\/jats:p>","DOI":"10.3390\/molecules29153444","type":"journal-article","created":{"date-parts":[[2024,7,23]],"date-time":"2024-07-23T07:57:23Z","timestamp":1721721443000},"page":"3444","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":3,"title":["Intermolecular Interactions between Aldehydes and Alcohols: Conformational Equilibrium and Rotational Spectra of Acrolein-Methanol Complex"],"prefix":"10.3390","volume":"29","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-3998-9667","authenticated-orcid":false,"given":"Dingding","family":"Lv","sequence":"first","affiliation":[{"name":"Dipartimento di Chimica \u201cG. Ciamician\u201d Universit\u00e0 di Bologna, Via Selmi 2, I-40126 Bologna, Italy"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"David","family":"Sundelin","sequence":"additional","affiliation":[{"name":"Fysikum, Stockholm University, Roslagstullsbacken 21, 106 91 Stockholm, Sweden"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-2644-0023","authenticated-orcid":false,"given":"Assimo","family":"Maris","sequence":"additional","affiliation":[{"name":"Dipartimento di Chimica \u201cG. Ciamician\u201d Universit\u00e0 di Bologna, Via Selmi 2, I-40126 Bologna, Italy"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-9119-1057","authenticated-orcid":false,"given":"Luca","family":"Evangelisti","sequence":"additional","affiliation":[{"name":"Dipartimento di Chimica \u201cG. Ciamician\u201d Universit\u00e0 di Bologna, Via Selmi 2, I-40126 Bologna, Italy"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Wolf Dietrich","family":"Geppert","sequence":"additional","affiliation":[{"name":"Fysikum, Stockholm University, Roslagstullsbacken 21, 106 91 Stockholm, Sweden"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-0410-5833","authenticated-orcid":false,"given":"Sonia","family":"Melandri","sequence":"additional","affiliation":[{"name":"Dipartimento di Chimica \u201cG. Ciamician\u201d Universit\u00e0 di Bologna, Via Selmi 2, I-40126 Bologna, Italy"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"1968","published-online":{"date-parts":[[2024,7,23]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","first-page":"525","DOI":"10.1016\/0371-1951(66)80083-8","article-title":"Hydrogen Bonding by Alcohols and Phenols\u2014I. 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