ArticleNature communications2025
Strain engineering of single-site Cu on SWCNTs for highly efficient diene cyclopropanation.
Article in Nature communications, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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Abstract
Cyclopropane-based aerospace fuels exhibit the excellent volumetric calorific value, leading to broad application prospects in aircrafts. However, due to the highly rigid structure of the cyclopropane (compared to cyclobutane or cyclopentane, etc.) and the difficulty in forming metal-carbene intermediates, there are still significant challenges in the precise synthesis of multi-cyclopropane-based high-energy fuels ( ≥ 2 cyclopropane structures). Herein, via the introduction of bending strain on metal organic complex, we report a single-site Cu/single-walled carbon nanotube catalyst (Cu/SWCNT), which possesses 2.6-fold conversion (up to 77.4%) and 4-fold selectivity (up to 45.7%) as that without bending strain for the preparation of bi-cyclopropane-based fuels from dienes. XAFS and DFT calculations show that bending strain enhances the upward shift of d-band center of β electrons (-4.370 to -4.366), thus promotes the adsorption and activation of CH
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