Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
Trapping of Ag+ into a Perfect Six-Coordinated Environment: Structural Analysis, Quantum Chemical Calculations and Electrochemistry. / Komlyagina, Veronika I.; Romashev, Nikolay F.; Kokovkin, Vasily V. и др.
в: Molecules, Том 27, № 20, 6961, 10.2022.Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
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TY - JOUR
T1 - Trapping of Ag+ into a Perfect Six-Coordinated Environment: Structural Analysis, Quantum Chemical Calculations and Electrochemistry
AU - Komlyagina, Veronika I.
AU - Romashev, Nikolay F.
AU - Kokovkin, Vasily V.
AU - Gushchin, Artem L.
AU - Benassi, Enrico
AU - Sokolov, Maxim N.
AU - Abramov, Pavel A.
N1 - Funding Information: This work was supported by the grant of the President of the Russian Federation for young scientists—Doctors of Sciences MD-396.2021.1.3. Publisher Copyright: © 2022 by the authors.
PY - 2022/10
Y1 - 2022/10
N2 - 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] (1) 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 1 demonstrates catalytic activity in the electrochemical reduction of CO2.
AB - 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] (1) 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 1 demonstrates catalytic activity in the electrochemical reduction of CO2.
KW - Ag
KW - complexes
KW - crystal structure
KW - cyclic voltammetry
KW - DFT calculations
KW - dpp-bian
KW - polyoxomolybdates
KW - redox-active ligands
KW - Models, Molecular
KW - Carbon Dioxide
KW - Electrochemistry
KW - Ligands
KW - Molecular Structure
KW - Acenaphthenes/chemistry
UR - http://www.scopus.com/inward/record.url?scp=85140872997&partnerID=8YFLogxK
UR - https://www.mendeley.com/catalogue/d4aed155-1c86-3349-a7aa-6e53b5027007/
U2 - 10.3390/molecules27206961
DO - 10.3390/molecules27206961
M3 - Article
C2 - 36296553
AN - SCOPUS:85140872997
VL - 27
JO - Molecules
JF - Molecules
SN - 1420-3049
IS - 20
M1 - 6961
ER -
ID: 38662203