title: Hemicarceplex formation allows ready identification of the isomers of the metallofullerene Sc3N@C80 using (1)H and (13)C NMR spectroscopy.
abstract: A cyclotriveratrylene-based molecular cage forms hemicarceplexes that significantly increase the solubility of commercially available Sc3N@C80 in CDCl3. When incarcerated within the molecular cage, the two structural isomers of this metallofullerene, Sc3N@D5h-C80 and Sc3N@Ih-C80, displayed characteristic signals in both (1)H and (13)C NMR spectra, allowing direct identification of each isomer without the need to enrich the sample with (13)C atoms.
authors.affiliation: Department of Chemistry and Center for Emerging Material and Advanced Devices, National Taiwan University, No. 1, Sec. 4, Roosevelt Road, Taipei, Taiwan 10617, Republic of China. shchiu@ntu.edu.tw.
authors.forename: Min-Yen
authors.initials: MY
authors.lastname: Ku
authors.forename: Shing-Jong
authors.initials: SJ
authors.lastname: Huang
authors.forename: Shou-Ling
authors.initials: SL
authors.lastname: Huang
authors.forename: Yi-Hung
authors.initials: YH
authors.lastname: Liu
authors.forename: Chien-Chen
authors.initials: CC
authors.lastname: Lai
authors.forename: Shie-Ming
authors.initials: SM
authors.lastname: Peng
authors.forename: Sheng-Hsien
authors.initials: SH
authors.lastname: Chiu
mesh_terms: D037741:Fullerenes / Q000737:chemistry*; D007536:Isomerism; D009682:Magnetic Resonance Spectroscopy; D011083:Polycyclic Compounds / Q000737:chemistry; D012538:Scandium / Q000737:chemistry*
chemical_list: D037741:Fullerenes; D011083:Polycyclic Compounds; C483859:cyclotriveratrylene; D012538:Scandium