Trapping of Ag+ into a Perfect Six-Coordinated Environment: Structural Analysis, Quantum Chemical Calculations and Electrochemistry

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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. et al.

In: Molecules, Vol. 27, No. 20, 6961, 10.2022.

Research output: Contribution to journal › Article › peer-review

BibTeX

@article{5f3daf78bd2f4ad89cefe403931752f8,

title = "Trapping of Ag+ into a Perfect Six-Coordinated Environment: Structural Analysis, Quantum Chemical Calculations and Electrochemistry",

abstract = "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.",

keywords = "Ag, complexes, crystal structure, cyclic voltammetry, DFT calculations, dpp-bian, polyoxomolybdates, redox-active ligands, Models, Molecular, Carbon Dioxide, Electrochemistry, Ligands, Molecular Structure, Acenaphthenes/chemistry",

author = "Komlyagina, {Veronika I.} and Romashev, {Nikolay F.} and Kokovkin, {Vasily V.} and Gushchin, {Artem L.} and Enrico Benassi and Sokolov, {Maxim N.} and Abramov, {Pavel A.}",

note = "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: {\textcopyright} 2022 by the authors.",

year = "2022",

month = oct,

doi = "10.3390/molecules27206961",

language = "English",

volume = "27",

journal = "Molecules",

issn = "1420-3049",

publisher = "Multidisciplinary Digital Publishing Institute (MDPI)",

number = "20",

}

RIS

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