Silver-π Interaction: A Diverse Approach to Hybrid Material and Its Efficacy in Electrocatalytic Reduction of Nitrate to Ammonia.
Calvin SamuelGujju NarsimhuluGarima BangarSai Hemanth Kumar DasariGopalan RajaramanViswanathan BaskarPublished in: Inorganic chemistry (2024)
Inspired by the intriguing nature of the metal-π interaction in organometallic chemistry, a novel 1D hybrid material has been designed. Herein, a functionalized tellurium allyl macrocycle (TAM) acts as a molecular building block and is knit together via silver-π interaction to obtain Ag-TAM. Ag is coordinated to two allyl groups and a phenyl ring in η 2 mode. Instead of the conventional polymerization strategy, a metal-π interaction is employed to interlink macrocycles. TAM and Ag-TAM showed electrocatalytic capability for the conversion of nitrate to ammonia. Ag-TAM showed an NH 3 yield rate 2-fold greater than TAM with a high faradaic efficiency of 94.6% with good durability, proving that interlinking of macrocycles via metal-π interaction improves the catalytic activity. Detailed periodic density functional theory (DFT) calculations unveil novel mechanistic insights, suggesting cooperative catalysis between neighboring Ag sites and contributing to the enhanced efficiency.
Keyphrases
- density functional theory
- quantum dots
- molecular dynamics
- visible light
- highly efficient
- gold nanoparticles
- nitric oxide
- room temperature
- reduced graphene oxide
- silver nanoparticles
- mass spectrometry
- single molecule
- molecular docking
- ionic liquid
- metal organic framework
- tandem mass spectrometry
- liquid chromatography
- molecularly imprinted