{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,7,30]],"date-time":"2025-07-30T11:12:23Z","timestamp":1753873943259,"version":"3.41.2"},"reference-count":32,"publisher":"AIP Publishing","issue":"10","funder":[{"DOI":"10.13039\/501100001871","name":"Funda\u00e7\u00e3o para a Ciencia e a Tecnologia","doi-asserted-by":"crossref","award":["PTDC\/QEQ-QFI\/3284\/2014 - POCI-01-0145-FEDER-016617"],"award-info":[{"award-number":["PTDC\/QEQ-QFI\/3284\/2014 - POCI-01-0145-FEDER-016617"]}],"id":[{"id":"10.13039\/501100001871","id-type":"DOI","asserted-by":"crossref"}]}],"content-domain":{"domain":["pubs.aip.org"],"crossmark-restriction":true},"short-container-title":[],"published-print":{"date-parts":[[2019,9,14]]},"abstract":"<jats:p>The interest in investigating the structure and reactivity of halogen- and methoxy-substituted benzaldehydes has been motivated by the practical relevance of these substances in various fields, from the fragrance industry to agrochemicals and drug manufacturing. In this study, 3-chloro-4-methoxybenzaldehyde (3CMBA) was investigated by matrix isolation infrared spectroscopy and quantum chemistry calculations. Molecules of the compound were isolated in cryogenic argon and xenon matrices and the conformational composition of the as-deposited materials characterized by infrared spectroscopy. Two nearly degenerated conformers, differing by the orientation of the aldehyde group relatively to the chlorine ring substituent, were successfully trapped into the matrices from the room temperature vapor of the compound, the cis conformer being slightly higher in energy than the trans form. Both conformers belong to the Cs point group and have the methoxy group pointing to the opposite direction of the chlorine atom. The as-deposited matrices of 3CMBA were then irradiated by tunable monochromatic UV-light. Irradiation within the 302\u2013299 nm range induced conversion of the cis into the trans conformer, while irradiation in the 298\u2013296 nm range induced the inverse photoisomerization. Irradiation at higher energy (250 nm) was found to lead to decarbonylation of both conformers. Very interestingly, the observed UV-induced processes were found to take place in an essentially selective way as a function of the irradiation wavelength. In particular, the conformational isomerization reactions of 3CMBA occur with only a residual number of molecules undergoing simultaneous decarbonylation.<\/jats:p>","DOI":"10.1063\/1.5118332","type":"journal-article","created":{"date-parts":[[2019,9,9]],"date-time":"2019-09-09T15:09:27Z","timestamp":1568041767000},"update-policy":"https:\/\/doi.org\/10.1063\/aip-crossmark-policy-page","source":"Crossref","is-referenced-by-count":2,"title":["UV-induced conformational isomerization and photochemistry of 3-chloro-4-methoxybenzaldehyde in cryogenic inert matrices"],"prefix":"10.1063","volume":"151","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-7827-5050","authenticated-orcid":false,"given":"G.","family":"Ogruc Ildiz","sequence":"first","affiliation":[{"name":"CQC, Department of Chemistry, University of Coimbra 1 , P 3004-535 Coimbra, Portugal"},{"name":"Faculty of Sciences and Letters, Department of Physics, Istanbul Kultur University 2 , Atakoy Campus, Bakirkoy 34156, Istanbul, Turkey"}]},{"given":"J.","family":"Konarska","sequence":"additional","affiliation":[{"name":"CQC, Department of Chemistry, University of Coimbra 1 , P 3004-535 Coimbra, Portugal"},{"name":"Laboratory of Physicochemistry of Dielectrics and Magnetics, Department of Chemistry, University of Warsaw 3 , Ul. \u017bwirki I Wigury 101, 02-089 Warsaw, Poland"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-8264-6854","authenticated-orcid":false,"given":"R.","family":"Fausto","sequence":"additional","affiliation":[{"name":"CQC, Department of Chemistry, University of Coimbra 1 , P 3004-535 Coimbra, Portugal"}]}],"member":"317","published-online":{"date-parts":[[2019,9,9]]},"reference":[{"key":"2023062523154484300_c1","doi-asserted-by":"publisher","first-page":"7","DOI":"10.1016\/j.chemphys.2018.04.011","volume":"508","year":"2018","journal-title":"Chem. 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