Journal
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
Volume 131, Issue 31, Pages 10950-10954Publisher
AMER CHEMICAL SOC
DOI: 10.1021/ja900972r
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Funding
- 21st Century COE Program [20108001, 20245006]
- Next Generation Super Computing Project (Nanoscience Project)
- Nanotechnology Support Project
- Ministry of Education, Culture, Sports, Science, and Technology of Japan [20036008, 20038007]
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Many insoluble metallofullerenes are called missing metallofullerenes. These metallofullerenes have not yet been isolated despite their detection in raw soot using mass spectrometry. They have been anticipated to show unique structures and properties that differ considerably from those of soluble metallofullerenes. Herein, a missing metallofullerene, La@C-80, was extracted and isolated as a derivative, La@C-80(C6H3Cl2). The structure of La@C-80(C6H3Cl2) was determined unambiguously using single-crystal X-ray crystallographic analysis. In fact, La@C-80 has a novel C-80 cage, C-2v-C-80 (80:3), which has not been reported. The calculation of La@C-80 with C-2v-C-80 (80:3) cage shows that La@C-2v-C-80 (80:3) has a radical character as well as small ionization potential (Ip) and electron affinity (Ea), which are indicative of high reactivity. On the basis of those results, La @ G C80 (80:3) is expected to interact strongly and bond with amorphous carbon or other fullerenes in soot that is made insoluble in common organic solvents.
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