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Three Zn(II) MOFs, [Zn(Hbtzip)2(H2O)2]\u00b74H2O (1), [Zn(Hbtzip)2(H2O)2] (2), and [Zn(btzip)] (3), were hydrothermally synthesized from 4,6-bis(triazol-1-yl)isophthalic acid (H2btzip) using 4,5-dicyanoimidazole, aminoguanidine hydrochloride, and acrylamide as respective additive. 1 and 2 are three-dimensional (3D) supramolecular isomers with identical one-dimensional (1D) chains but different hydrogen-bonds and \u03c0\u2013\u03c0 distances; 3 is a structural isomer with a 3D crb framework. Despite common ligand-centered emission, they emit at 535 nm (1; 31 nm red shift), 426 nm (2; 78 nm blue shift), and 499 nm (3; nearly identical to free ligand). Through Hirshfeld analysis, time-dependent density functional theory (TDDFT), natural transition orbitals, and electron\u2013hole distributions, we show that 1 emits via intraligand local excitation (LE), while 2 and 3 involve intermolecular ligand-to-ligand charge transfer (LLCT). The shorter \u03c0\u2013\u03c0 distance in 2 (3.657 \u00c5) enhances through-space coupling and favors charge transfer; the longer separation in 1 (3.873 \u00c5) weakens it, allowing LE to dominate. This work not only enriches the H2btzip-based MOF family but also establishes a clear structure\u2013property framework linking supramolecular packing to luminescence, offering a versatile strategy for emission-tunable materials through controlled noncovalent interactions.<\/jats:p>","DOI":"10.1021\/acs.inorgchem.6c04585","type":"journal-article","created":{"date-parts":[[2026,10,1]],"date-time":"2026-10-01T08:01:29Z","timestamp":1790841689000},"page":"24053-24066","source":"Crossref","is-referenced-by-count":0,"title":["Additive-Induced Supramolecular and Structural Isomerism\nin Zn(II) MOFs: Tuning Emission from Intraligand Local Excitation\nto Intermolecular Charge Transfer through \u03c0\u2013Stacking\nControl"],"prefix":"10.1021","volume":"65","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-3074-1251","authenticated-orcid":true,"given":"Jian-Di","family":"Lin","sequence":"first","affiliation":[{"name":"Fujian Agriculture and Forestry University , , , ,","place":["Fuzhou, Fujian, China, 350002"]},{"name":"Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences , , , ,","place":["Fuzhou, Fujian, China, 350002"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Sheng","family":"Hu","sequence":"additional","affiliation":[{"name":"Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences , , , ,","place":["Fuzhou, Fujian, China, 350002"]},{"name":"ShanghaiTech University , , ,","place":["Shanghai, China, 201210"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Hao-Hui","family":"Xie","sequence":"additional","affiliation":[{"name":"Nanjing University of Science and Technology , , , ,","place":["Nanjing, Jiangsu, China, 210094"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-9286-3580","authenticated-orcid":true,"given":"Qiao-Hong","family":"Li","sequence":"additional","affiliation":[{"name":"Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences , , , ,","place":["Fuzhou, Fujian, China, 350002"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-2515-3356","authenticated-orcid":true,"given":"Zu-Jin","family":"Lin","sequence":"additional","affiliation":[{"name":"Fujian Agriculture and Forestry University , , , ,","place":["Fuzhou, Fujian, China, 350002"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-7264-170X","authenticated-orcid":true,"given":"Fa-Kun","family":"Zheng","sequence":"additional","affiliation":[{"name":"Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences , , , ,","place":["Fuzhou, Fujian, China, 350002"]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2026,10,1]]},"reference":[{"issue":"8","key":"2026101208100555300_cit1","doi-asserted-by":"publisher","first-page":"1166","DOI":"10.1021\/ar1000617","article-title":"Rational Design, Synthesis, Purification, and Activation\nof Metal\u2013Organic Framework Materials","volume":"43","author":"Farha","year":"2010","journal-title":"Acc. 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