Carbene Addition Isomers of C<sub>70</sub> formed in the Flame of Low-Pressure Combustion

oleh: Fang-Fang Xie, Zuo-Chang Chen, You-Hui Wu, Han-Rui Tian, Shun-Liu Deng, Su-Yuan Xie, Lan-Sun Zheng

Format: Article
Diterbitkan: MDPI AG 2022-09-01

Deskripsi

In the flames during low-pressure combustion, not only a rich variety of fullerenes but also many reactive intermediates can be produced (e.g., carbene, CH<sub>2</sub>) that are short-lived and cannot be stabilized directly under normal circumstances. These intermediates can be captured by fullerene carbon cages for stabilization. In this paper, three C<sub>71</sub>H<sub>2</sub> isomers were synthesized in situ in low-pressure benzene-acetylene-oxygen diffusion flame combustion. The results, which were unambiguously characterized by single-crystal X-ray diffraction, show that the three isomers are carbene addition products of <i>D<sub>5h</sub></i>-C<sub>70</sub> on different sites. The relative energies and stability of different C<sub>71</sub>H<sub>2</sub> isomers are revealed by Ultraviolet-Visible (UV-Vis) absorption spectroscopy, in combination with theoretical calculations, in this work. Both the in situ capture and theoretical study of these C<sub>71</sub>H<sub>2</sub> isomers in low-pressure combustion will provide more information regarding carbene additions to other fullerenes or other carbon clusters at high temperatures.