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- W2982247077 abstract "The side-on-end-on coordination of N2 can be very important to activate and functionalize this very stable molecule. However, such coordination has rarely been reported. This study reports a gas-phase species (a polynuclear vanadium nitride cluster anion [V5 N5 ]- ) that can capture N2 efficiently (12 %), and the quantum chemistry modelling suggests an unusual side-on-end-on coordination. The cluster anions were generated by laser ablation and the reaction with N2 has been characterized by mass spectrometry, photoelectron imaging spectroscopy, and density functional theory calculations. The back-donation interactions between the localized d-d bonding orbitals on the low-coordinated dual metal (V) sites and the antibonding π* orbitals of N2 are the driving forces to adsorb N2 with a high binding energy (about 2.0 eV)." @default.
- W2982247077 created "2019-11-01" @default.
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- W2982247077 date "2019-11-22" @default.
- W2982247077 modified "2023-10-17" @default.
- W2982247077 title "Side‐on‐End‐on Coordination of Dinitrogen on a Polynuclear Vanadium Nitride Cluster Anion [V <sub>5</sub> N <sub>5</sub> ] <sup>−</sup>" @default.
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- W2982247077 doi "https://doi.org/10.1002/chem.201904362" @default.
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