Supramolecular Assemblies in Pb(II) Complexes with Hydrazido-Based Ligands by Ghodrat Mahmoudi, Saikat Kumar Seth, Fedor I. Zubkov, Elena López-Torres, Alessia Bacchi, Vladimir Stilinović, Antonio Frontera

“…Moreover, the aromatic ligands participate in noncovalent interactions that play an important role in the formation of several supramolecular assemblies in the solid state of the three Pb(II) complexes. …”
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Structure Guiding Supramolecular Assemblies in Metal-Organic Multi-Component Compounds of Mn(II): Experimental and Theoretical Studies by Manjit K. Bhattacharyya, Kamal K. Dutta, Pranay Sharma, Rosa M. Gomila, Miquel Barceló-Oliver, Antonio Frontera

“…However, we have explored the unusual enclathration of complex cationic moieties within the supramolecular host cavities formed by the molecular assembly of complex anionic moieties. The supramolecular assemblies obtained in the crystal structure have been further studied theoretically using DFT calculations, quantum theory of atoms-in-molecules (QTAIM) and non-covalent interaction plot (NCI plot) computational tools. …”
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Supramolecular Assemblies in Pyridine- and Pyrazole-Based Coordination Compounds of Co(II) and Ni(II): Characterization, Hirshfeld Analysis and Theoretical Studies by Trishnajyoti Baishya, Rosa M. Gomila, Miquel Barceló-Oliver, Diego M. Gil, Manjit K. Bhattacharyya, Antonio Frontera

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Tetrel Bonding and Other Non-Covalent Interactions Assisted Supramolecular Aggregation in a New Pb(II) Complex of an Isonicotinohydrazide by Ghodrat Mahmoudi, Marjan Abedi, Simon E. Lawrence, Ennio Zangrando, Maria G. Babashkina, Axel Klein, Antonio Frontera, Damir A. Safin

“…The manifold non-covalent interactions found in this supramolecular assembly are the result of the proper combination of the polyfunctional multidentate pyridine-hydrazide ligand and the small nitrito auxiliary ligand.…”
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Intramolecular <i>sp</i>²-<i>sp</i>³ Disequalization of Chemically Identical Sulfonamide Nitrogen Atoms: Single Crystal X-Ray Diffraction Characterization, Hi... by Alexey V. Kletskov, Diego M. Gil, Antonio Frontera, Vladimir P. Zaytsev, Natalia L. Merkulova, Ksenia R. Beltsova, Anna A. Sinelshchikova, Mikhail S. Grigoriev, Mariya V. Grudova, Fedor I. Zubkov

“…In addition, the supramolecular assemblies have been characterized using the quantum theory of “atoms-in-molecules” (QTAIM) and molecular electrostatic potential (MEP) calculations. …”
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Cooperative Ternary Assemblies Involving Anion–π/π–π/Anion–π Assemblies and Unconventional Cl⋯Cl Interactions in Cu(II) Coordination Compounds: Experimental and Theoretical Studies... by Pinku Sarma, Rosa M. Gomila, Antonio Frontera, Miquel Barcelo-Oliver, Manjit K. Bhattacharyya

“…We theoretically explored the supramolecular assemblies observed in the crystal structures of compounds <b>1</b> and <b>2</b> using DFT calculations, MEP surface analysis and combined NCI plot/QTAIM computational tools. …”
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