{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,10,11]],"date-time":"2025-10-11T01:39:01Z","timestamp":1760146741409,"version":"build-2065373602"},"reference-count":48,"publisher":"MDPI AG","issue":"23","license":[{"start":{"date-parts":[[2024,12,6]],"date-time":"2024-12-06T00:00:00Z","timestamp":1733443200000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"name":"Spain Ministry of Science, Innovation and Universities (MICIU\/AEI of Spain; projects PID2020-115637GB-I00 and PID2023-148453NB-I00, FEDER funds)"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["IJMS"],"abstract":"<jats:p>Inspired by the reported crystal structure of compound 1, we aimed to synthesize and determine the structure of compound 2, where two imidazolium (H2im+) ions serve as diamagnetic countercations. Here, we report the thermal stabilities, FT\u2013IR, visible, and RSE spectra, as well as the magnetic properties of both compounds. In these structures, \u00b5-EDTA acts as a pentadentate chelator for both terminal Cu centers within the centrosymmetric linear trinuclear anion. The Cu(\u00b5-EDTA) chelates bind to the central Cu(Him)4 unit in subtly different ways: in compound 1, \u00b5-EDTA has a free acetate arm and binds the central Cu(II) center through a syn,anti-carboxylate group. In contrast, in compound 2, the non-chelating acetate arm serves as a monodentate O-donor to the central Cu(II) atom, increasing the Cu(terminal)\u00b7\u00b7\u00b7Cu(central) distance from 6.08 \u00c5 in 1 to 6.80 \u00c5 in 2. Additionally, pairs of H2im+ ions in compound 2 display antiparallel \u03c0-stacking interactions. We conclude that the H2im+ counterions in compound 2 enable the magnetic isolation of the nearly identical trinuclear anion present in both compounds. DFT calculations further support the role of different interactions in stabilizing each crystal structure. In compound 2, dominant contributions from N\u2013H\u00b7\u00b7\u00b7O hydrogen bonds and \u03c0-stacking interactions are accompanied by other, less conventional interactions, such as multiple C\u2013H\u00b7\u00b7\u00b7O contacts and an O\u00b7\u00b7\u00b7CO(\u03c0-hole) interaction within the trinuclear anion.<\/jats:p>","DOI":"10.3390\/ijms252313130","type":"journal-article","created":{"date-parts":[[2024,12,6]],"date-time":"2024-12-06T06:25:16Z","timestamp":1733466316000},"page":"13130","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":0,"title":["Magnetic Isolation of the Linear Trinuclear Anion in [Cu(Him)6] {Cu(Him)4[Cu(\u03bc-EDTA)(Him)]2}\u00b76H2O (1) as the Novel Imidazolium(+) Salt (H2im)2[Cu(Him)4{(\u00b5-EDTA)Cu(Him)}2]\u00b72H2O (2)\u2014A Comparative Look to Their Crystal Structures, Thermal, Spectral and Magnetic Properties and DFT Calculations"],"prefix":"10.3390","volume":"25","author":[{"given":"Jeannette Carolina","family":"Belmont-S\u00e1nchez","sequence":"first","affiliation":[{"name":"Department of Inorganic Chemistry, Faculty of Pharmacy, University of Granada, 18071 Granada, Spain"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-7077-8972","authenticated-orcid":false,"given":"Duane","family":"Choquesillo-Lazarte","sequence":"additional","affiliation":[{"name":"Laboratorio de Estudios Cristalogr\u00e1ficos (LEC), IACT, CSIC-Universidad de Granada, Av. de las Palmeras 4, 18100 Armilla, Spain"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-7840-2139","authenticated-orcid":false,"given":"Antonio","family":"Frontera","sequence":"additional","affiliation":[{"name":"Department de Qu\u00edmica, Universitat de les Illes Balears, Crta. de Valldemossa km 7.5, 07122 Palma de Mallorca, Spain"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-6183-2052","authenticated-orcid":false,"given":"Luis","family":"Lezama","sequence":"additional","affiliation":[{"name":"Department of Inorganic Chemistry, Faculty of Science and Technology, University of Basque Country, 48080 Bilbao, Spain"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-5070-5936","authenticated-orcid":false,"given":"Alfonso","family":"Casti\u00f1eiras","sequence":"additional","affiliation":[{"name":"Department of Inorganic Chemistry, Faculty of Pharmacy, University of Santiago de Compostela, 15782 Santiago de Compostela, Spain"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-8882-640X","authenticated-orcid":false,"given":"Juan","family":"Nicl\u00f3s-Guti\u00e9rrez","sequence":"additional","affiliation":[{"name":"Department of Inorganic Chemistry, Faculty of Pharmacy, University of Granada, 18071 Granada, Spain"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"1968","published-online":{"date-parts":[[2024,12,6]]},"reference":[{"unstructured":"Hathaway, B.J., Copper Wilkinson, G., Gillard, R.D., and McCleverty, J.A. 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