Structural diversity and tetrel bonding significance in lead(ii) complexes with pyrazoylisonicotinoylhydrazone and varied anionic co-ligands

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dc.contributor.authorMahmoudi, Ghodrat
dc.contributor.authorGarcia-Santos, Isabel
dc.contributor.authorFernandez-Vazquez, Roi
dc.contributor.authorGomila, Rosa M.
dc.contributor.authorCastineiras, Alfonso
dc.contributor.authorDoustkhah, Esmail
dc.contributor.authorZangrando, Ennio
dc.date.accessioned2024-05-19T14:50:39Z
dc.date.available2024-05-19T14:50:39Z
dc.date.issued2024
dc.departmentİstinye Üniversitesien_US
dc.description.abstractFour lead(ii) complexes featuring pyrazoylisonicotinoylhydrazone ligand paired with various anionic co-ligands (azido, thiocyanato, nitrito, and nitrato) were synthesized and thoroughly examined using structural, analytical, and spectroscopic techniques. These ligands, in their mono-deprotonated state, bind to the lead(ii) ion in a tridentate manner through two nitrogen atoms and one oxygen atom. Single-crystal X-ray crystallography revealed the capacity of these molecular complexes to form larger aggregates influenced by the nature of the anion attached to the metal center. In every complex, the lead atom adopts a hemidirectional coordination environment, making it geometrically suited for tetrel bond formation. The crystal structures demonstrate that lead atoms engage in notably short interactions with nitrogen atoms, distances that are shorter than the sum of their van der Waals radii yet exceed the sum of their covalent radii. These tetrel bonds play a pivotal role in weaving the monomeric into self-assembled dimers or extended supramolecular 1D polymers. The formation and characteristics of these intriguing supramolecular structures observed in the solid state of each complex were further explored and validated through density functional theory (DFT) calculations and several computational tools like MEP, NCIPlot, QTAIM, and ELF methods.en_US
dc.description.sponsorshipMICIU/AEI of Spain [PID2020-115637GB-I00]; Alexander von Humboldt Foundation; Conselleria de Cultura, Educacion, Formacion Profesional e Universidades, Xunta de Galicia (Spain); [GPC GI-2197 (ED481B-2022-068 2023/19)]en_US
dc.description.sponsorshipWe thank MICIU/AEI of Spain (PID2020-115637GB-I00, FEDER funds) for financial support, the CTI (UIB) for computational facilities. AF thanks the Alexander von Humboldt Foundation for the J. C. Mutis research award. I. G. S thanks to the financial support received from Conselleria de Cultura, Educacion, Formacion Profesional e Universidades, Xunta de Galicia (Spain). GPC GI-2197 (ED481B-2022-068 2023/19).en_US
dc.identifier.doi10.1039/d4ce00325j
dc.identifier.issn1466-8033
dc.identifier.scopus2-s2.0-85190943434en_US
dc.identifier.scopusqualityQ2en_US
dc.identifier.urihttps://doi.org10.1039/d4ce00325j
dc.identifier.urihttps://hdl.handle.net/20.500.12713/5768
dc.identifier.wosWOS:001207242400001en_US
dc.identifier.wosqualityN/Aen_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.language.isoenen_US
dc.publisherRoyal Soc Chemistryen_US
dc.relation.ispartofCrystengcommen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/openAccessen_US
dc.snmz20240519_kaen_US
dc.subjectIntermolecular Interactionsen_US
dc.subjectEnergiesen_US
dc.titleStructural diversity and tetrel bonding significance in lead(ii) complexes with pyrazoylisonicotinoylhydrazone and varied anionic co-ligandsen_US
dc.typeArticleen_US

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