Issue 29, 2024

Iron single-atom anchored N-doped carbon: an efficient catalyst for one-pot, scaled-up pentazolate synthesis

Abstract

The discovery of ambient stable pentazolate salts has paved way for a new frontier in the chemistry of pentazoles, which represent a distinctive category of energetic materials. One challenge impeding their practical applications lies in achieving the scale-up of pentazolate synthesis via a facile and low-cost route. An efficient and recyclable iron single-atom catalyst with FeN4 sites (Fe1@NC-700) has been first developed using a pyrolysis-milling strategy for scaled-up pentazolate synthesis and achieves significant yields (38.4 g, 15% yield for NaN5; 77.6 g, 26% yield for CoN5) via a three-step, one-pot process with a low iron dosage (0.67 mol%). According to experimental and theoretical calculation results, the exceptional catalytic performance of Fe1@NC-700 can be attributed to its stable FeN4 enzyme-like catalytic active sites, which facilitate the formation of a Fe(IV)[double bond, length as m-dash]O intermediate, and it maintains its catalytic activity even under weakly acidic conditions and after five cycles.

Graphical abstract: Iron single-atom anchored N-doped carbon: an efficient catalyst for one-pot, scaled-up pentazolate synthesis

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Article information

Article type
Paper
Submitted
13 May 2024
Accepted
12 Jun 2024
First published
16 Jun 2024

J. Mater. Chem. A, 2024,12, 18096-18103

Iron single-atom anchored N-doped carbon: an efficient catalyst for one-pot, scaled-up pentazolate synthesis

P. Wang, X. Zhang, S. Jiang, Z. Dong, R. Lu, Y. Xu, P. Wang and G. Lu, J. Mater. Chem. A, 2024, 12, 18096 DOI: 10.1039/D4TA03312D

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