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Novel Pb(II) Complexes: X-Ray Structures, Hirshfeld Surface Analysis and DFT Calculations
| Content Provider | MDPI |
|---|---|
| Author | Mahmoudi, Ghodrat Seth, Saikat Kumar Riera, Antonio Bauza Zubkov, Fedor Ivanovich Frontera, Antonio |
| Copyright Year | 2020 |
| Description | Herein we report the synthesis and detailed structural characterization of two new centrosymmetric dinuclear coordination compounds of Pb(II) [Pb2L2(NCS)4] (1) and [Pb2L2(NO3)4]∙2MeOH (2), using the organic ligand 1,2-diphenyl-1,2-bis((methyl(pyridin-2-yl)methylene)hydrazono)ethane (L). In both complexes, each subunit [PbLX2 (X = NO3 or NCS)] adopts a quasi-aromatic Möbius metal chelate structure. Each ligand L is coordinated in a tetradentate coordination mode to Pb(II), yielding the 12π electron chelate ring via two pyridyl-imine units. In compound (1), the coordination sphere is completed by one disordered N,S-coordinated thiocyanate anion and two μ1,1-bridging N-coordinated thiocyanate anions. In compound (2), the coordination sphere of Pb(II) is completed by two monodentate and two bidentate nitrato ligands (two of them acting as bridging ligands). Crystal packing of both compounds is stabilized by intermolecular hydrogen bonds, intra- and intermolecular C–H∙∙∙p interactions. The Hirshfeld molecular surfaces of (1) and (2) demonstrate that their packing is dominated by C–H∙∙∙O/N/S interactions as well as by far less favored H∙∙∙H contacts. |
| Starting Page | 568 |
| e-ISSN | 20734352 |
| DOI | 10.3390/cryst10070568 |
| Journal | Crystals |
| Issue Number | 7 |
| Volume Number | 10 |
| Language | English |
| Publisher | MDPI |
| Publisher Date | 2020-07-02 |
| Access Restriction | Open |
| Subject Keyword | Crystals Inorganic Chemistry Pb(ii) Complexes Noncovalent Interactions Hirshfeld Surface Analysis Dft Calculations |
| Content Type | Text |
| Resource Type | Article |
