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In comparison to the monovariant H-bond at R\u2013H\u00b7\u00b7\u00b7Nu synthon, the SpB parameters (strength and directionality) can also be regulated by replacement of a single spodium atom (Sp = Zn, Cd, or Hg) at R\u2013Sp\u00b7\u00b7\u00b7Nu. In this work we examined the effect of a single spodium atom replacement strategy on the strength and directionality of inter- or intramolecular SpB in a series of coordination and supramolecular compounds obtained from the Cambridge Structural Database. Due to their d-orbitals, Group 12 elements commonly act as \u03c0-hole donors, and there is no clear trend between the strength of Sp\u00b7\u00b7\u00b7Nu interactions and either the atomic polarizability or the van der Waals radius of the Sp atom. Complementary density functional theory calculations employing QTAIM and natural bond orbital analysis reveal that the bonding character of spodium interactions transitions from coordination-like interactions in Cd complexes to genuine noncovalent bonds in Hg systems, with the \u03c3-hole mechanism serving as the primary stabilization driver.<\/jats:p>","DOI":"10.1021\/acs.jpca.6c05244","type":"journal-article","created":{"date-parts":[[2026,9,17]],"date-time":"2026-09-17T17:02:11Z","timestamp":1789664531000},"page":"7822-7831","source":"Crossref","is-referenced-by-count":0,"title":["The Effect of Single-Atom\n(Zn, Cd, or Hg) Replacement\non the Strength and Directionality of the Spodium Bond"],"prefix":"10.1021","volume":"130","author":[{"given":"Atash V.","family":"Gurbanov","sequence":"first","affiliation":[{"name":"Baku State University , , Z. Khalilov Str. 33 , ,","place":["Baku, Azerbaijan, AZ 1148"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-0827-8504","authenticated-orcid":true,"given":"Rosa M","family":"Gomila","sequence":"additional","affiliation":[{"name":"Universitat de Les Illes Balears , , Crta. de Valldemossa Km7.5 , , ,","place":["Palma, Baleares, Spain, 07122"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Fatali E.","family":"Huseynov","sequence":"additional","affiliation":[{"name":"Baku State University , , Z. Khalilov Str. 33 , ,","place":["Baku, Azerbaijan, AZ 1148"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-7840-2139","authenticated-orcid":true,"given":"Antonio","family":"Frontera","sequence":"additional","affiliation":[{"name":"Universitat de Les Illes Balears , , Crta. de Valldemossa Km7.5 , , ,","place":["Palma, Baleares, Spain, 07122"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-0743-6520","authenticated-orcid":true,"given":"Kamran T.","family":"Mahmudov","sequence":"additional","affiliation":[{"name":"Baku State University , , Z. Khalilov Str. 33 , ,","place":["Baku, Azerbaijan, AZ 1148"]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2026,9,17]]},"reference":[{"key":"2026102815064193700_cit1","doi-asserted-by":"publisher","first-page":"1611","DOI":"10.1021\/cg901182c","article-title":"Synthesis, Structures, and Photoluminescence of Zinc(II), Cadmium(II),\nand Mercury(II) Coordination Polymers Constructed from Two Novel Tetrapyridyl\nLigands","volume":"10","author":"Zeng","year":"2010","journal-title":"Cryst. Growth Des."},{"key":"2026102815064193700_cit2","doi-asserted-by":"publisher","first-page":"214088","DOI":"10.1016\/j.ccr.2021.214088","article-title":"Zinc coordination complexes\nas anticancer agents","volume":"445","author":"Pellei","year":"2021","journal-title":"Coord. Chem. 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Chem."},{"key":"2026102815064193700_cit5","doi-asserted-by":"publisher","first-page":"10758","DOI":"10.1039\/D3TC01067H","article-title":"Cd and Hg doping\nof AgInS2 quantum dots\n\u2013 efficient strategy to modify nonlinear absorption","volume":"11","author":"Kosman","year":"2023","journal-title":"J. Mater. Chem. C"},{"key":"2026102815064193700_cit6","doi-asserted-by":"publisher","first-page":"171","DOI":"10.1107\/S2052520616003954","article-title":"The Cambridge Structural\nDatabase","volume":"72","author":"Groom","year":"2016","journal-title":"Acta Crystallogr."},{"key":"2026102815064193700_cit7","doi-asserted-by":"publisher","first-page":"213171","DOI":"10.1016\/j.ccr.2019.213171","article-title":"Triel bond\nand coordination of triel centres - Comparison with Hydrogen Bond\nInteraction","volume":"407","author":"Grabowski","year":"2020","journal-title":"Coord. Chem. 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