{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,10,13]],"date-time":"2025-10-13T09:16:51Z","timestamp":1760347011891,"version":"build-2065373602"},"reference-count":48,"publisher":"MDPI AG","issue":"15","license":[{"start":{"date-parts":[[2021,7,22]],"date-time":"2021-07-22T00:00:00Z","timestamp":1626912000000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Molecules"],"abstract":"<jats:p>A new solvatomorph of [Au3(1-Methylimidazolate)3] (Au3(MeIm)3)\u2014the simplest congener of imidazolate-based Au(I) cyclic trinuclear complexes (CTCs)\u2014has been identified and structurally characterized. Single-crystal X-ray diffraction revealed a dichloromethane solvate exhibiting remarkably short intermolecular Au\u22efAu distances (3.2190(7) \u00c5). This goes along with a dimer formation in the solid state, which is not observed in a previously reported solvent-free crystal structure. Hirshfeld analysis, in combination with density functional theory (DFT) calculations, indicates that the dimerization is generally driven by attractive aurophilic interactions, which are commonly associated with the luminescence properties of CTCs. Since Au3(MeIm)3 has previously been reported to be emissive in the solid-state, we conducted a thorough photophysical study combined with phase analysis by means of powder X-ray diffraction (PXRD), to correctly attribute the photophysically active phase of the bulk material. Interestingly, all investigated powder samples accessed via different preparation methods can be assigned to the pristine solvent-free crystal structure, showing no aurophilic interactions. Finally, the observed strong thermochromism of the solid-state material was investigated by means of variable-temperature PXRD, ruling out a significant phase transition being responsible for the drastic change of the emission properties (hypsochromic shift from 710 nm to 510 nm) when lowering the temperature down to 77 K.<\/jats:p>","DOI":"10.3390\/molecules26154404","type":"journal-article","created":{"date-parts":[[2021,7,22]],"date-time":"2021-07-22T22:35:31Z","timestamp":1626993331000},"page":"4404","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":1,"title":["Investigation of Solvatomorphism and Its Photophysical Implications for Archetypal Trinuclear Au3(1-Methylimidazolate)3"],"prefix":"10.3390","volume":"26","author":[{"given":"Shengyang","family":"Guan","sequence":"first","affiliation":[{"name":"Catalysis Research Center & Department of Chemistry, Technische Universit\u00e4t M\u00fcnchen, Ernst-Otto-Fischer Str. 1, D-85748 Garching b. M\u00fcnchen, Germany"},{"name":"Department of Chemistry, Technische Universit\u00e4t M\u00fcnchen, Lichtenbergstr. 4, D-85748 Garching b. M\u00fcnchen, Germany"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"David C.","family":"Mayer","sequence":"additional","affiliation":[{"name":"Catalysis Research Center & Department of Chemistry, Technische Universit\u00e4t M\u00fcnchen, Ernst-Otto-Fischer Str. 1, D-85748 Garching b. M\u00fcnchen, Germany"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Christian","family":"Jandl","sequence":"additional","affiliation":[{"name":"Catalysis Research Center & Department of Chemistry, Technische Universit\u00e4t M\u00fcnchen, Ernst-Otto-Fischer Str. 1, D-85748 Garching b. M\u00fcnchen, Germany"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Sebastian J.","family":"Weish\u00e4upl","sequence":"additional","affiliation":[{"name":"Catalysis Research Center & Department of Chemistry, Technische Universit\u00e4t M\u00fcnchen, Ernst-Otto-Fischer Str. 1, D-85748 Garching b. M\u00fcnchen, Germany"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-1599-9542","authenticated-orcid":false,"given":"Angela","family":"Casini","sequence":"additional","affiliation":[{"name":"Department of Chemistry, Technische Universit\u00e4t M\u00fcnchen, Lichtenbergstr. 4, D-85748 Garching b. M\u00fcnchen, Germany"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Alexander","family":"P\u00f6thig","sequence":"additional","affiliation":[{"name":"Catalysis Research Center & Department of Chemistry, Technische Universit\u00e4t M\u00fcnchen, Ernst-Otto-Fischer Str. 1, D-85748 Garching b. M\u00fcnchen, Germany"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"1968","published-online":{"date-parts":[[2021,7,22]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","first-page":"11256","DOI":"10.1002\/chem.202001022","article-title":"Yldiide Ligands as Building Blocks for Polynuclear Coinage Metal Complexes: Metal Squares, Triangles and Chains","volume":"26","author":"Gimeno","year":"2020","journal-title":"Chem. A Eur. J."},{"key":"ref_2","doi-asserted-by":"crossref","first-page":"1171","DOI":"10.1002\/anie.199711711","article-title":"\u201cHyt was of Gold, and Shon so Bryghte\u2026\u201d: Luminescent Gold (I) Compounds","volume":"36","author":"Gade","year":"1997","journal-title":"Angew. Chem. Int. Ed. 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