Synthesis, crystal structure, Hirshfeld surface analysis and characterization of a new Cd(II) complex with the 4,4’-dimethyl-2,2’-dipyridine monodentate ligand - CRM2 - Laboratoire de Cristallographie, Résonance Magnétique et Modélisations Accéder directement au contenu
Article Dans Une Revue Journal of the Iranian Chemical Society Année : 2021

Synthesis, crystal structure, Hirshfeld surface analysis and characterization of a new Cd(II) complex with the 4,4’-dimethyl-2,2’-dipyridine monodentate ligand

Résumé

Synthesis, crystal structure and spectroscopic characterization of the new Cd(II) complex with the bidentate ligand 4,4'-dimethyl-2,2'-dipyridine (DMDPy), [CdI2(DMDPy)2], is reported. The cadmium cation is hexa-coordinated in a distorted octahedral configuration by four nitrogen atoms of two DMDPy ligands and two iodide anions. In the structural arrangement of the title compound, the different chemical entities are arranged in planes around z = n¼. Intermolecular interactions were investigated by Hirshfeld surface and contact enrichment tools. Mulliken charge distribution, molecular electrostatic potential (MEP) maps and HOMO/LUMO energy gaps were computed. Infrared spectroscopy was used to verify the functional groups present in the compound and to study their vibrational behavior in the crystalline state.
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hal-03280984 , version 1 (07-07-2021)

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Kacem Klai, Christian Jelsch, Emmanuel Wenger, Frederic Lefebvre, Cherif Ben Nasr, et al.. Synthesis, crystal structure, Hirshfeld surface analysis and characterization of a new Cd(II) complex with the 4,4’-dimethyl-2,2’-dipyridine monodentate ligand. Journal of the Iranian Chemical Society, inPress, ⟨10.1007/s13738-021-02308-7⟩. ⟨hal-03280984⟩
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