biostudies-literatureKomlyagina VIRussian Federation for young scientists—Doctors of SciencesCouncil for Grants of the President of the Russian Federation6961https://www.ebi.ac.uk/biostudies/studies/S-EPMC9607289biostudies-literatureUnknown27(20)Self-assembly of (Bu₄N)₄[β-Mo₈O₂₆], AgNO₃, and 2-bis[(2,6-diisopropylphenyl)-imino]acenaphthene (dpp-bian) in DMF solution resulted in the (Bu₄N)₂[β-{Ag(dpp-bian)}₂Mo₈O₂₆] (<b>1</b>) complex. The complex was characterized by single crystal X-ray diffraction (SCXRD), X-ray powder diffraction (XRPD), diffuse reflectance (DR), infrared spectroscopy (IR), and elemental analysis. Comprehensive SCXRD studies of the crystal structure show the presence of Ag⁺ in an uncommon coordination environment without a clear preference for Ag-N over Ag-O bonding. Quantum chemical calculations were performed to qualify the nature of the Ag-N/Ag-O interactions and to assign the electronic transitions observed in the UV-Vis absorption spectra. The electrochemical behavior of the complex combines POM and redox ligand signatures. Complex <b>1</b> demonstrates catalytic activity in the electrochemical reduction of CO₂.Molecules (Basel, Switzerland)Trapping of Ag⁺ into a Perfect Six-Coordinated Environment: Structural Analysis, Quantum Chemical Calculations and Electrochemistry.PMC9607289MD-396.2021.1.3Abramov PABenassi ESokolov MNRomashev NFKomlyagina VIKokovkin VVGushchin ALfalseTrapping of Ag⁺ into a Perfect Six-Coordinated Environment: Structural Analysis, Quantum Chemical Calculations and Electrochemistry.Self-assembly of (Bu₄N)₄[β-Mo₈O₂₆], AgNO₃, and 2-bis[(2,6-diisopropylphenyl)-imino]acenaphthene (dpp-bian) in DMF solution resulted in the (Bu₄N)₂[β-{Ag(dpp-bian)}₂Mo₈O₂₆] (<b>1</b>) complex. The complex was characterized by single crystal X-ray diffraction (SCXRD), X-ray powder diffraction (XRPD), diffuse reflectance (DR), infrared spectroscopy (IR), and elemental analysis. Comprehensive SCXRD studies of the crystal structure show the presence of Ag⁺ in an uncommon coordination environment without a clear preference for Ag-N over Ag-O bonding. Quantum chemical calculations were performed to qualify the nature of the Ag-N/Ag-O interactions and to assign the electronic transitions observed in the UV-Vis absorption spectra. The electrochemical behavior of the complex combines POM and redox ligand signatures. Complex <b>1</b> demonstrates catalytic activity in the electrochemical reduction of CO₂.2022-01-01T00:00:00Z2022 Oct2025-04-18T21:21:52.502Z2025-04-07T09:15:27.315ZS-EPMC96072893629655310.3390/molecules27206961