Insights into Supramolecular Networks Engineered via Tetrel and Hydrogen Bonding Interactions in Hemidirected Lead(II) Complexes

Basit Öğe Kaydı
dc.contributor.authorBhattacharjee, Tirtha
dc.contributor.authorNath, Sourav
dc.contributor.authorRoy, Subhadip
dc.contributor.authorGomila, Rosa M.
dc.contributor.authorSahin, Onur
dc.contributor.authorKaminsky, Werner
dc.contributor.authorFrontera, Antonio
dc.date.accessioned2026-04-25T14:20:04Z
dc.date.available2026-04-25T14:20:04Z
dc.date.issued2025
dc.departmentSinop Üniversitesi
dc.description.abstractIn this study, we explore the role of tetrel bonds (TtBs) and hydrogen bonds (H-bonds) in directing supramolecular crystal packing via self-assembly in two lead(II) chelates: [Pb(tren)(i-mnt)] (1) and [Pb4(tetraen)2(i-mnt)4] (2) [i-mnt -2 = 1,1-dicyanoethylene-2,2-dithiolate, tren = diethylene triamine, and tetraen = tris(2-aminoethyl)amine]. Both complexes were synthesized and isolated, and their solid-state structures were determined through single-crystal X-ray diffraction analysis. The secondary ligands (tren, tetraen) influence the coordination pattern of i-mnt -2 toward the Pb2+ center, generating diverse asymmetric geometries. Complex 1 is a vacant octahedral chelate, while complex 2 is a cocrystalline aggregate of crystallographically independent two cationic [Pb(tetraen)]+2 and two anionic [Pb(i-mnt)2]-2 inversion twins, each displaying seesaw geometry. These hemidirected lead(II) complexes with aliphatic ligands are the first of their class that display PbS, PbN TtB type secondary interactions in self-assembly processes, building homo- and heterodimers. Apart from TtBs, N-HN, N-HS, C-HN, and C-HS type H-bonds also engineer the supramolecular networks, generating diverse chain and ring geometry with requisite stability. DFT calculations and quantum theory of atoms-in-molecules analyses explored the nature of TtBs between hemidirected Pb(II) and the thiolate/cyano end of i-mnt -2 in formed dimers and their pivotal role in stabilizing and elucidating the electronic architecture of dimers. In addition, Hirshfeld surface analysis corroborates with X-ray and DFT results, exploring the existence of TtBs, H-bonds, and other noncovalent interactions that assist in the construction of stable supramolecular networks.
dc.description.sponsorshipDegree College, Dharmanagar, Tripura(N)-799253, India
dc.description.sponsorshipS.A. acknowledges support from Govt. Degree College, Dharmanagar, Tripura(N)-799253, India. S.R. is grateful to the authorities of The ICFAI University Tripura for providing the research facilities.
dc.identifier.doi10.1021/acs.cgd.5c00996
dc.identifier.endpage8615
dc.identifier.issn1528-7483
dc.identifier.issn1528-7505
dc.identifier.issue20
dc.identifier.orcid0000-0002-9100-4909
dc.identifier.orcid0009-0003-5264-7965
dc.identifier.orcid0000-0002-0097-6113
dc.identifier.orcid0000-0001-7840-2139
dc.identifier.orcid0000-0002-6382-5400
dc.identifier.orcid0000-0002-0827-8504
dc.identifier.scopus2-s2.0-105018745087
dc.identifier.scopusqualityQ2
dc.identifier.startpage8601
dc.identifier.urihttps://doi.org/10.1021/acs.cgd.5c00996
dc.identifier.urihttps://hdl.handle.net/11486/8341
dc.identifier.volume25
dc.identifier.wosWOS:001582784500001
dc.identifier.wosqualityQ1
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherAmer Chemical Soc
dc.relation.ispartofCrystal Growth & Design
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.snmzKA_WOS_20260420
dc.subject#BAŞV!
dc.titleInsights into Supramolecular Networks Engineered via Tetrel and Hydrogen Bonding Interactions in Hemidirected Lead(II) Complexes
dc.typeArticle

Dosyalar

Koleksiyon

WoS İndeksli Yayınlar Koleksiyonu
Scopus İndeksli Yayınlar Koleksiyonu