{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,8,26]],"date-time":"2026-08-26T19:05:40Z","timestamp":1787771140200,"version":"build-2784847793"},"reference-count":84,"publisher":"MDPI AG","issue":"6","license":[{"start":{"date-parts":[[2024,3,15]],"date-time":"2024-03-15T00:00:00Z","timestamp":1710460800000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"name":"National Science Centre, Poland","award":["2019\/35\/B\/NZ7\/02756"],"award-info":[{"award-number":["2019\/35\/B\/NZ7\/02756"]}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["IJMS"],"abstract":"<jats:p>4-[5-(Naphthalen-1-ylmethyl)-1,3,4-thiadiazol-2-yl]benzene-1,3-diol (NTBD) was extensively studied through stationary UV\u2013vis absorption and fluorescence measurements in various solvents and solvent mixtures and by first-principles quantum chemical calculations. It was observed that while in polar solvents (e.g., methanol) only a single emission band emerged; the analyzed 1,3,4-thiadiazole derivative was capable of producing dual fluorescence signals in low polarity solvents (e.g., n-hexane) and certain solvent mixtures (e.g., methanol\/water). As clearly follows from the experimental spectroscopic studies and theoretical modeling, the specific emission characteristic of NTBD is triggered by the effect of enol \u2192 keto excited-state intramolecular proton transfer (ESIPT) that in the case of solvent mixture is reinforced by aggregation of thiadiazole molecules. Specifically, the restriction of intramolecular rotation (RIR) due to environmental hindrance suppresses the formation of non-emissive twisted intramolecular charge transfer (TICT) excited keto* states. As a result, this particular thiadiazole derivative is capable of simultaneously producing both ESIPT and aggregation-induced emission (AIE).<\/jats:p>","DOI":"10.3390\/ijms25063352","type":"journal-article","created":{"date-parts":[[2024,3,15]],"date-time":"2024-03-15T12:02:39Z","timestamp":1710504159000},"page":"3352","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":18,"title":["Cooperativity of ESPT and Aggregation-Induced Emission Effects\u2014An Experimental and Theoretical Analysis of a 1,3,4-Thiadiazole Derivative"],"prefix":"10.3390","volume":"25","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-5834-555X","authenticated-orcid":false,"given":"Iwona","family":"Budziak-Wieczorek","sequence":"first","affiliation":[{"name":"Department of Chemistry, Faculty of Life Sciences and Biotechnology, University of Life Sciences in Lublin, Akademicka 15, 20-950 Lublin, Poland"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-4617-188X","authenticated-orcid":false,"given":"Dominika","family":"Kaczmarczyk","sequence":"additional","affiliation":[{"name":"Doctoral School of Exact and Natural Sciences, Jagiellonian University, Prof. St. \u0141ojasiewicza St 11, 30-348 Cracow, Poland"},{"name":"Department of Theoretical Chemistry, Faculty of Chemistry, Jagiellonian University, Gronostajowa 2, 30-387 Krak\u00f3w, Poland"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0009-0003-3633-8919","authenticated-orcid":false,"given":"Klaudia","family":"Rz\u0105d","sequence":"additional","affiliation":[{"name":"Department of Biophysics, Faculty of Environmental Biology, University of Life Sciences in Lublin, Akademicka 13, 20-950 Lublin, Poland"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-7139-4199","authenticated-orcid":false,"given":"Mariusz","family":"Gago\u015b","sequence":"additional","affiliation":[{"name":"Department of Cell Biology, Maria Curie-Sklodowska University, Akademicka 19, 20-033 Lublin, Poland"},{"name":"Department of Biochemistry and Molecular Biology, Medical University of Lublin, Chod\u017aki 1, 20-093 Lublin, Poland"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-1872-394X","authenticated-orcid":false,"given":"Andrzej","family":"Stepulak","sequence":"additional","affiliation":[{"name":"Department of Biochemistry and Molecular Biology, Medical University of Lublin, Chod\u017aki 1, 20-093 Lublin, Poland"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-3361-7934","authenticated-orcid":false,"given":"Beata","family":"My\u015bliwa-Kurdziel","sequence":"additional","affiliation":[{"name":"Department of Plant Physiology and Biochemistry, Faculty of Biochemistry, Biophysics and Biotechnology, Jagiellonian University, Gronostajowa 7, 30-387 Krak\u00f3w, Poland"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-9848-2508","authenticated-orcid":false,"given":"Dariusz","family":"Karcz","sequence":"additional","affiliation":[{"name":"Department of Chemical Technology and Environmental Analytics (C1), Faculty of Chemical Engineering and Technology, Cracow University of Technology, Warszawska 24, 31-155 Krak\u00f3w, Poland"},{"name":"ECOTECH-COMPLEX\u2014Analytical and Programme Centre for Advanced Environmentally-Friendly Technologies, Maria Curie-Sklodowska University, G\u0142\u0119boka 39, 20-033 Lublin, Poland"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-0343-5363","authenticated-orcid":false,"given":"Karolina","family":"Starzak","sequence":"additional","affiliation":[{"name":"Department of Chemical Technology and Environmental Analytics (C1), Faculty of Chemical Engineering and Technology, Cracow University of Technology, Warszawska 24, 31-155 Krak\u00f3w, Poland"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-2947-1602","authenticated-orcid":false,"given":"Gotard","family":"Burdzi\u0144ski","sequence":"additional","affiliation":[{"name":"Faculty of Physics, Adam Mickiewicz University, Pozna\u0144, Uniwersytetu Pozna\u0144skiego 2, 61-614 Pozna\u0144, Poland"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-4211-325X","authenticated-orcid":false,"given":"Monika","family":"Srebro-Hooper","sequence":"additional","affiliation":[{"name":"Department of Theoretical Chemistry, Faculty of Chemistry, Jagiellonian University, Gronostajowa 2, 30-387 Krak\u00f3w, Poland"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-2630-120X","authenticated-orcid":false,"given":"Arkadiusz","family":"Matwijczuk","sequence":"additional","affiliation":[{"name":"Department of Biophysics, Faculty of Environmental Biology, University of Life Sciences in Lublin, Akademicka 13, 20-950 Lublin, Poland"},{"name":"ECOTECH-COMPLEX\u2014Analytical and Programme Centre for Advanced Environmentally-Friendly Technologies, Maria Curie-Sklodowska University, G\u0142\u0119boka 39, 20-033 Lublin, Poland"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"1968","published-online":{"date-parts":[[2024,3,15]]},"reference":[{"key":"ref_1","unstructured":"Chhikara, B.S., and Parang, K. 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