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| Naji, M. |
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| Motta, Antonella |
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| Aletan, Dirar |
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| Mohamed, Tarek |
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| Ertürk, Emre |
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| Taccardi, Nicola |
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| Kononenko, Denys |
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| Petrov, R. H. | Madrid |
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| Alshaaer, Mazen | Brussels |
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| Bih, L. |
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| Casati, R. |
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| Muller, Hermance |
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| Kočí, Jan | Prague |
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| Šuljagić, Marija |
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| Kalteremidou, Kalliopi-Artemi | Brussels |
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| Azam, Siraj |
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| Ospanova, Alyiya |
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| Blanpain, Bart |
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| Ali, M. A. |
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| Popa, V. |
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| Rančić, M. |
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| Ollier, Nadège |
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| Azevedo, Nuno Monteiro |
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| Landes, Michael |
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| Rignanese, Gian-Marco |
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Pittelkow, Michael
University of Copenhagen
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (6/6 displayed)
- 2023Heterocyclic [9]Helicenes Exhibiting Bright Circularly Polarized Luminescencecitations
- 2022The tetrel bonding role in supramolecular aggregation of lead(II) acetate and a thiosemicarbazide derivativecitations
- 2022Dianthracenylazatrioxa[8]circulene: synthesis, characterization and application in OLEDscitations
- 2019An antiaromatic-walled nanospace.
- 2011Metallocorrole Dendrimerscitations
- 2004Guest-host chemistry with dendrimers: Stable polymer assemblies by rational design
Places of action
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article
The tetrel bonding role in supramolecular aggregation of lead(II) acetate and a thiosemicarbazide derivative
Abstract
<jats:p>A new Pb<jats:sup>II</jats:sup> coordination complex <jats:bold>[Pb<jats:italic>L</jats:italic>(OAc)]</jats:bold>, which was readily synthesized from a mixture of Pb(OAc)<jats:sub>2</jats:sub>·3H<jats:sub>2</jats:sub>O and 1-(pyridin-2-yl)benzylidene-4-phenylthiosemicarbazide (<jats:bold>H<jats:italic>L</jats:italic></jats:bold>) is reported. The crystal structure analysis of <jats:bold>[Pb<jats:italic>L</jats:italic>(OAc)]</jats:bold> showed that the Pb<jats:sup>II</jats:sup> cation is <jats:italic>N</jats:italic>,<jats:italic>N</jats:italic>′,<jats:italic>S</jats:italic>-chelated by the tridentate pincer-type ligand <jats:bold><jats:italic>L</jats:italic></jats:bold> and by the oxygen atoms of the acetate anion. In addition, the metal centre forms Pb...O and Pb...S tetrel bonds with an adjacent complex molecule, yielding a 1D zigzag polymeric chain, which is reinforced by N—H...O hydrogen bonds and π...π interactions. These chains are interlinked by C—H...py non-covalent interactions, realized between one of the acetate hydrogen atoms and the pyridine rings. According to the Hirshfeld surface analysis, the crystal packing is mainly characterized by intermolecular H...H, H...C and H...O contacts, followed by H...N, H...S, C...C, C...N, Pb...H, Pb...O and Pb...S contacts. The FTIR and <jats:sup>1</jats:sup>H NMR spectra of <jats:bold>[Pb<jats:italic>L</jats:italic>(OAc)]</jats:bold> testify to the deprotonation of the parent ligand <jats:bold>H<jats:italic>L</jats:italic></jats:bold>, while the acetate ligand exhibits an anisobidentate coordination mode as established by means of single-crystal X-ray diffraction and FTIR spectroscopy. Lastly, theoretical calculations at the PBE0-D3/def2-TZVP level of theory have been used to analyze and characterize the Pb...O and Pb...S tetrel bonds observed in the crystal of <jats:bold>[Pb<jats:italic>L</jats:italic>(OAc)]</jats:bold>, using a combination of QTAIM (Quantum Theory of Atoms in Molecules) and <jats:italic>NCIPlot</jats:italic> (Non-Covalent Interaction Plot) computational tools.</jats:p>