{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,3,6]],"date-time":"2026-03-06T22:15:51Z","timestamp":1772835351164,"version":"3.50.1"},"reference-count":62,"publisher":"MDPI AG","issue":"1","license":[{"start":{"date-parts":[[2023,1,31]],"date-time":"2023-01-31T00:00:00Z","timestamp":1675123200000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"name":"Funda\u00e7\u00e3o para a Ci\u00eancia e a Tecnologia (FCT)","award":["UI0313B\/QUI\/2020"],"award-info":[{"award-number":["UI0313B\/QUI\/2020"]}]},{"name":"Funda\u00e7\u00e3o para a Ci\u00eancia e a Tecnologia (FCT)","award":["UI0313P\/QUI\/2020"],"award-info":[{"award-number":["UI0313P\/QUI\/2020"]}]},{"name":"Funda\u00e7\u00e3o para a Ci\u00eancia e a Tecnologia (FCT)","award":["LA\/P\/0056\/2020"],"award-info":[{"award-number":["LA\/P\/0056\/2020"]}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Photochem"],"abstract":"<jats:p>A combined spectroscopic and computational approach has been used to study in detail the complexation between Ga(III) and ARS in solution. The NMR results revealed the formation of four Ga(III)\/ARS complexes, at pH 4, differing in their metal:ligand stoichiometries or configuration, and point to a coordination mode through the ligand positions C-1 and C-9. For equimolar metal:ligand solutions, a 1:1 [Ga(ARS)(H2O)4]+ complex was formed, while for 1:2 molar ratio solutions, a [Ga(ARS)2(H2O)2]\u2212 complex, in which the two ligands are magnetically equivalent, is proposed. Based on DFT calculations, it was determined that this is a centrosymmetric structure with the ligands in an anti configuration. For solutions with a 1:3 molar ratio, two isomeric [Ga(ARS)3]3\u2212 complexes were detected by NMR, in which the ligands have a mer and a fac configuration around the metal centre. The DFT calculations provided structural details on the complexes and support the proposal of a 1,9 coordination mode. The infrared spectroscopy results, together with the calculation of the infrared spectra for the theoretically proposed structures, give further support to the conclusions above. Changes in the UV\/vis absorption and fluorescence spectra of the ligand upon complexation revealed that ARS is a highly sensitive fluorescent probe for the detection of Ga(III).<\/jats:p>","DOI":"10.3390\/photochem3010005","type":"journal-article","created":{"date-parts":[[2023,2,1]],"date-time":"2023-02-01T05:57:56Z","timestamp":1675231076000},"page":"61-81","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":6,"title":["Spectroscopic and DFT Study of Alizarin Red S Complexes of Ga(III) in Semi-Aqueous Solution"],"prefix":"10.3390","volume":"3","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-8338-6441","authenticated-orcid":false,"given":"Lic\u00ednia L. G.","family":"Justino","sequence":"first","affiliation":[{"name":"CQC-IMS, Department of Chemistry, University of Coimbra, Rua Larga, 3004-535 Coimbra, Portugal"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-1064-3021","authenticated-orcid":false,"given":"Sofia","family":"Braz","sequence":"additional","affiliation":[{"name":"CQC-IMS, Department of Chemistry, University of Coimbra, Rua Larga, 3004-535 Coimbra, Portugal"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3230-8045","authenticated-orcid":false,"given":"M. Lu\u00edsa","family":"Ramos","sequence":"additional","affiliation":[{"name":"CQC-IMS, Department of Chemistry, University of Coimbra, Rua Larga, 3004-535 Coimbra, Portugal"}]}],"member":"1968","published-online":{"date-parts":[[2023,1,31]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","first-page":"5995","DOI":"10.1143\/JJAP.41.5995","article-title":"Characteristics of nitrogen-doped GaAsP light-emitting diodes","volume":"41","author":"Sato","year":"2002","journal-title":"Jpn. J. Appl. Phys."},{"key":"ref_2","doi-asserted-by":"crossref","first-page":"319","DOI":"10.1086\/133893","article-title":"Gallium liquid mirrors: Basic technology, optical-shop tests and observations","volume":"109","author":"Borra","year":"1997","journal-title":"Astron. Soc. 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