Jia, Jianfeng Wu, Hai-Shun Xu, Xiao-Hong Zhang, Xian-Ming Jiao, Haijun Tube and Cage C<sub>60</sub>H<sub>60</sub>: A Comparison with C<sub>60</sub>F<sub>60</sub> Tube C<sub>60</sub>H<sub>60</sub> (<b>5</b>) with fused five-membered rings is more stable than the cage isomer (<b>1</b>) with isolated five-membered rings. Introduction of <i>endo</i> C−H bonds into structure <b>5</b> results in further stabilization, but the most stable tube structure with four <i>endo</i> C−H bonds (<b>7</b>) is higher in energy than the most stable cage structure with ten <i>endo</i> C−H bonds (<b>3</b>) by 74.2 kcal/mol. A comprehensive comparison of C<sub>60</sub>H<sub>60</sub> with C<sub>60</sub>F<sub>60</sub> has been made. C 60F;C 60H;tube structure;cage structure;structure 5 results;endo;Cage C 60H;bond 2008-06-19
    https://acs.figshare.com/articles/journal_contribution/Tube_and_Cage_C_sub_60_sub_H_sub_60_sub_A_Comparison_with_C_sub_60_sub_F_sub_60_sub_/2933161
10.1021/ol8008649.s001