{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,7,30]],"date-time":"2025-07-30T11:03:16Z","timestamp":1753873396756,"version":"3.41.2"},"reference-count":32,"publisher":"AIP Publishing","issue":"10","content-domain":{"domain":["pubs.aip.org"],"crossmark-restriction":true},"short-container-title":[],"published-print":{"date-parts":[[2014,3,14]]},"abstract":"<jats:p>A matrix isolation study of the infrared spectra and structure of anethole (1-methoxy-4-(1-propenyl)benzene) has been carried out, showing the presence of two E conformers (AE1, AE2) of the molecule in the as-deposited matrices. Irradiation using ultraviolet-tunable laser light at 308\u2013307\u00a0nm induced conformationally selective phototransformations of these forms into two less stable Z conformers (AZ1, AZ2). The back reactions were also detected upon irradiation at 301 nm. On the whole, the obtained results allow for full assignment of the infrared spectra of all the four experimentally observed anethole isomers and showed that the narrowband UV-induced E-Z photoisomerization is an efficient and selective way to interconvert the two isomers of anethole into each other, with conformational discrimination. Photolysis of anethole was observed as well, with initial methoxyl O\u2013C bond cleavage and formation of CH3 and p-propenylphenoxy (AR) radicals, followed by radical recombination to form 2-methyl-4-propenyl-2,4-cyclohexadienone, which subsequently undergoes ring-opening generating several conformers of long-chain conjugated ketenes. Interpretation of the experimental observations was supported by density functional theory (B3LYP and B2PLYD) calculations.<\/jats:p>","DOI":"10.1063\/1.4867896","type":"journal-article","created":{"date-parts":[[2014,3,14]],"date-time":"2014-03-14T11:53:15Z","timestamp":1394797995000},"update-policy":"https:\/\/doi.org\/10.1063\/aip-crossmark-policy-page","source":"Crossref","is-referenced-by-count":6,"title":["UV-tunable laser induced phototransformations of matrix isolated anethole"],"prefix":"10.1063","volume":"140","author":[{"given":"Justyna","family":"Krupa","sequence":"first","affiliation":[{"name":"University of Wroc\u0142aw 1 Faculty of Chemistry, , Joliot-Curie 14, 50-383 Wroc\u0142aw, Poland"}]},{"given":"Maria","family":"Wierzejewska","sequence":"additional","affiliation":[{"name":"University of Wroc\u0142aw 1 Faculty of Chemistry, , Joliot-Curie 14, 50-383 Wroc\u0142aw, Poland"}]},{"given":"Cl\u00e1udio M.","family":"Nunes","sequence":"additional","affiliation":[{"name":"University of Coimbra 2 Department of Chemistry, , 3004-535 Coimbra, Portugal"}]},{"given":"Rui","family":"Fausto","sequence":"additional","affiliation":[{"name":"University of Coimbra 2 Department of Chemistry, , 3004-535 Coimbra, Portugal"}]}],"member":"317","published-online":{"date-parts":[[2014,3,13]]},"reference":[{"key":"2023070321340915900_c1","doi-asserted-by":"publisher","first-page":"4353","DOI":"10.1016\/j.bmc.2005.03.058","volume":"13","year":"2005","journal-title":"Bioorg. 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Phys."},{"key":"2023070321340915900_c28","unstructured":"See supplementary material at http:\/\/dx.doi.org\/10.1063\/1.4867896 for selected geometric parameters obtained using B3LYP and B2PLYPD methods (Table SI), experimental and calculated frequencies and intensities of AE1, AE2, AZ1, and AZ2 forms and their assignment (Table SII), energies of the S0 \u2192 S1 vertical excitations (Table SIII), selected experimental and B3LYP calculated frequencies and intensities of photoproducts originating from the UV photolysis of anethole (Table SIV), B3LYP\/6-311++G(2d,2p) frequencies and intensities of different conformers of the photoproducts (Table SV), potential energy diagram for the anethole isomerizations (Figure S1), selected regions of the experimental anethole\/Ar spectra: after 60\u00a0min of irradiation at 307\u00a0nm and the same spectrum after 2 min at 301\u00a0nm (Figure S2), kinetic profiles obtained for AE1, AZ1, AE2, and AZ2 (Figure S3), alternative (rejected) pathway for the UV photolysis in the anethole\/Ar matrices (Figure S4)."}],"container-title":["The Journal of Chemical Physics"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.aip.org\/aip\/jcp\/article-pdf\/doi\/10.1063\/1.4867896\/15476687\/105102_1_online.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"syndication"},{"URL":"https:\/\/pubs.aip.org\/aip\/jcp\/article-pdf\/doi\/10.1063\/1.4867896\/15476687\/105102_1_online.pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,7,4]],"date-time":"2023-07-04T00:14:31Z","timestamp":1688429671000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.aip.org\/jcp\/article\/140\/10\/105102\/351729\/UV-tunable-laser-induced-phototransformations-of"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2014,3,13]]},"references-count":32,"journal-issue":{"issue":"10","published-print":{"date-parts":[[2014,3,14]]}},"URL":"https:\/\/doi.org\/10.1063\/1.4867896","relation":{},"ISSN":["0021-9606","1089-7690"],"issn-type":[{"type":"print","value":"0021-9606"},{"type":"electronic","value":"1089-7690"}],"subject":[],"published-other":{"date-parts":[[2014,3,14]]},"published":{"date-parts":[[2014,3,13]]},"article-number":"105102"}}