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An Unconventional Hydrofullerene C66H4 with Symmetric Heptagons Retrieved in Low-Pressure Combustion
2019/3/19 17:12:03

Dear XFNANO friends:

We always talk about fullerene, today i'd like to introduce the Hydrofullerene.

Recently, SuYuan-Xie's research team from Xiamen university, China recycle the Hydrofullerene from a low-pressure combustion of benzene-acetylene-oxygen. Let's take a look.


The combustion has long been applied for industrial synthesis of carbon materials such as fullerenes as well as carbon particles (known as carbon black), but the components and structures of the carbon soot are far from clarification. Herein, we retrieve an unprecedented hydrofullerene C66H4 from a soot of a low-pressure combustion of benzene-acetylene-oxygen. Unambiguously characterized by single-crystal X-ray diffraction, the C66H4 renders a non-classical geometry incorporating two heptagons and two pairs of fused pentagons in a C2v symmetry. The common vertexes of the fused pentagons are bonded with four hydrogen atoms to convert the hydrogen-linking carbon atoms from sp2 to sp3 hy-bridization, which together with the adjacent heptagons essentially release the sp2-bond strains on the abutting-pentagon sites of the di-heptagonal fused pentagon C66 (dihept-C66). DFT computations suggest the possibility for in situ hydro-genation process leading to stabilization of the dihept-C66. In addition, the experiments have been carried out to study heptagons dependent properties of dihept-C66H4, indicating the key responsibility of heptagon for changing hydrocarbon activity and electronic properties. The present work with the unprecedented double-heptagons-containing hydrofullerene successfully isolated and identified as one of the low-pressure combustion products marks that the heptagon is new building block for constructing fullerene products in addition to pentagons and hexagons in the low-pressure combustion system.

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