Azide addition to Sc2@C66: favorable activity on unsaturated linear triquinanes and dramatic reactivity difference compared with the free C66 cage

作者：Li, Qiao-Zhi; Zheng, Jia-Jia; Zhao, Xiang^*

来源：Physical Chemistry Chemical Physics, 2015, 17(32): 20485-20489.

DOI：10.1039/c5cp03737a

• ORGANIC PHOTOVOLTAIC DEVICES
• ENDOHEDRAL METALLOFULLERENES
• FULLERENE
• SC3N-AT-I-H-C-80
• CYCLOADDITION
• M=SC
• LU

Density functional theory calculations on methyl azide additions to C-66 and Sc-2@C-2v(4059)-C-66 suggest that the best addition sites type E[5,6]-56 bond e2 and the new type D[5,6]-55 bond d for C-66 and type G[5,5]-66 bond g for Sc-2@C-66 are located on the unsaturated linear triquinane moieties.

• 出版日期2015
• 单位西安交通大学