{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,12,8]],"date-time":"2025-12-08T22:01:35Z","timestamp":1765231295328,"version":"build-2065373602"},"reference-count":76,"publisher":"MDPI AG","issue":"6","license":[{"start":{"date-parts":[[2023,3,18]],"date-time":"2023-03-18T00:00:00Z","timestamp":1679097600000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"name":"Italian Ministero dell\u2019Universit\u00e0 e della Ricerca (MUR)","award":["FDR2021"],"award-info":[{"award-number":["FDR2021"]}]},{"name":"Dipartimento di Scienze Chimiche e Geologiche of the Universit\u00e0 degli Studi di Modena e Reggio Emilia","award":["FDR2021"],"award-info":[{"award-number":["FDR2021"]}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["IJMS"],"abstract":"<jats:p>The tetranuclear iron(III) compounds [Fe4(\u03bc3-O)2(\u03bc-LZ)4] (1\u20133) were obtained by reaction of FeCl3 with the shortened salen-type N2O2 tetradentate Schiff bases N,N\u2019-bis(salicylidene)-o-Z-phenylmethanediamine H2LZ (Z = NO2, Cl and OMe, respectively), where the one-carbon bridge between the two iminic nitrogen donor atoms guide preferentially to the formation of oligonuclear species, and the ortho position of the substituent Z on the central phenyl ring selectively drives towards Fe4 bis-oxido clusters. All compounds show a flat almost-symmetric butterfly-like conformation of the {Fe4(\u03bc3-O)2} core, surrounded by the four Schiff base ligands, as depicted by both the X-ray molecular structures of 1 and 2 and the optimized geometries of all derivatives as obtained by UM06\/6-311G(d) DFT calculations. The strength of the antiferromagnetic exchange coupling constants between the iron(III) ions varies among the three derivatives, despite their magnetic cores remain structurally almost unvaried, as well as the coordination of the metal ions, with a distorted octahedral environment for the two-body iron ions, Feb, and a pentacoordination with trigonal bipyramidal geometry for the two-wing iron ions, Few. The different magnetic behavior within the series of examined compounds may be ascribed to the influence of the electronic features of Z on the electron density distribution (EDD) of the central {Fe4(\u03bc3-O)2} core, substantiated by a Quantum Theory of Atoms In Molecules (QTAIM) topological analysis of the EDD, as obtained by UM06 calculations 1\u20133.<\/jats:p>","DOI":"10.3390\/ijms24065808","type":"journal-article","created":{"date-parts":[[2023,3,20]],"date-time":"2023-03-20T04:33:31Z","timestamp":1679286811000},"page":"5808","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":3,"title":["Substituent-Guided Cluster Nuclearity for Tetranuclear Iron(III) Compounds with Flat {Fe4(\u03bc3-O)2} Butterfly Core"],"prefix":"10.3390","volume":"24","author":[{"ORCID":"https:\/\/orcid.org\/0000-0003-3473-2990","authenticated-orcid":false,"given":"Lorenzo","family":"Marchi","sequence":"first","affiliation":[{"name":"Dipartimento di Scienze Chimiche e Geologiche, Universit\u00e0 degli Studi di Modena e Reggio Emilia, Via G. Campi 103, 41125 Modena, Italy"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Stefano","family":"Carlino","sequence":"additional","affiliation":[{"name":"Dipartimento di Chimica, Universit\u00e0 degli Studi di Milano, Via C. Golgi 19, 20133 Milano, Italy"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-7497-0670","authenticated-orcid":false,"given":"Carlo","family":"Castellano","sequence":"additional","affiliation":[{"name":"Dipartimento di Chimica, Universit\u00e0 degli Studi di Milano, Via C. Golgi 19, 20133 Milano, Italy"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-2942-3990","authenticated-orcid":false,"given":"Francesco","family":"Demartin","sequence":"additional","affiliation":[{"name":"Dipartimento di Chimica, Universit\u00e0 degli Studi di Milano, Via C. Golgi 19, 20133 Milano, Italy"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-5020-5544","authenticated-orcid":false,"given":"Alessandra","family":"Forni","sequence":"additional","affiliation":[{"name":"Istituto di Scienze e Tecnologie Chimiche \u201cGiulio Natta\u201d, Consiglio Nazionale delle Ricerche (SCITEC-CNR), Via C. Golgi 19, 20133 Milano, Italy"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-7373-7965","authenticated-orcid":false,"given":"Anna M.","family":"Ferretti","sequence":"additional","affiliation":[{"name":"Istituto di Scienze e Tecnologie Chimiche \u201cGiulio Natta\u201d, Consiglio Nazionale delle Ricerche (SCITEC-CNR), Via G. Fantoli 16\/15, 20138 Milano, Italy"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-1445-5351","authenticated-orcid":false,"given":"Alessandro","family":"Ponti","sequence":"additional","affiliation":[{"name":"Istituto di Scienze e Tecnologie Chimiche \u201cGiulio Natta\u201d, Consiglio Nazionale delle Ricerche (SCITEC-CNR), Via G. Fantoli 16\/15, 20138 Milano, Italy"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Alessandro","family":"Pasini","sequence":"additional","affiliation":[{"name":"Dipartimento di Chimica, Universit\u00e0 degli Studi di Milano, Via C. Golgi 19, 20133 Milano, Italy"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-9875-9765","authenticated-orcid":false,"given":"Luca","family":"Rigamonti","sequence":"additional","affiliation":[{"name":"Dipartimento di Scienze Chimiche e Geologiche, Universit\u00e0 degli Studi di Modena e Reggio Emilia, Via G. Campi 103, 41125 Modena, Italy"},{"name":"Dipartimento di Chimica, Universit\u00e0 degli Studi di Milano, Via C. Golgi 19, 20133 Milano, Italy"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"1968","published-online":{"date-parts":[[2023,3,18]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","unstructured":"Miller, J.S., and Drillon, M. (2001). Magnetism: Molecules to Materials, Wiley-VCH.","DOI":"10.1002\/3527600698"},{"key":"ref_2","doi-asserted-by":"crossref","unstructured":"Gatteschi, D., Sessoli, R., and Villain, J. (2006). Molecular Nanomagnets, Oxford University Press.","DOI":"10.1093\/acprof:oso\/9780198567530.001.0001"},{"key":"ref_3","doi-asserted-by":"crossref","unstructured":"Halcrow, M.A. (2013). 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