| Autor: |
Thangavel, Kavipriya, Bruzzese, Paolo Cleto, Mendt, Matthias, Folli, Andrea, Knippen, Katharina, Volkmer, Dirk, Murphy, Damien M., Pöppl, Andreas |
| Zdroj: |
Physical Chemistry Chemical Physics (PCCP); 6/21/2023, Vol. 25 Issue 23, p15702-15714, 13p |
| Abstrakt: |
The nature of the chemical bonding between NO and open-shell NiII ions docked in a metal–organic framework is fully characterized by EPR spectroscopy and computational methods. High-frequency EPR experiments reveal the presence of unsaturated NiII ions displaying five-fold coordination. Upon NO adsorption, in conjunction with advanced EPR methodologies and DFT/CASSCF modelling, the covalency of the metal–NO and metal–framework bonds is directly quantified. This enables unravelling the complex electronic structure of NiII–NO species and retrieving their microscopic structure. [ABSTRACT FROM AUTHOR] |
| Databáze: |
Complementary Index |
| Externí odkaz: |
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