Structural study of four Ca@C82 isomers by 13C NMR spectroscopy

Gibbs energy-based treatment of metallofullerenes: Ca@C72, Ca@C74, Ca@C82, and La@C82

“…Although the former species is a bit more populated, their concentrations are rather close. Figure 3 is in a reasonable agreement with the qualitative population information [25,28] in a relatively wide temperature interval though the fifth isomer has not been observed yet.…”

“…The ultraviolet photoelectron spectra measured by Hino et al [30] support the finding. Very recently, Achiba et al [28] measured the 13 C NMR spectra of the all four isomers and assigned the symmetry of isomers (I), (II), (III), and (IV) as C s , C 3n , C 2 , and C 2n , respectively.…”

Isolation and Structural Characterization of Two Very Large, and Largely Empty, Endohedral Fullerenes: Tm@C3v-C94 and Ca@C3v-C94

“…Extraction procedures and chromatographic purification, utilizing a cyclopentadiene functionalized Merrifield peptide resin column,31 also followed an established route 18,19 Figure 6. shows the mass spectrum of the purified product.…”

Ca @ C 82 isomers: Computed temperature dependency of relative concentrations

“…The ultraviolet photoelectron spectra measured by Hino et al 16 support the finding; a similarity with Tm@C 82 (II) was also noted. 17 Very recently, Achiba et al measured 18 the 13 C NMR spectra of the all four isomers and assigned the symmetry of isomers ͑I͒, ͑II͒, ͑III͒, and ͑IV͒ as C s , C 3v , C 2 , and C 2v , respectively. The existence of four isomers of Ca@C 82 is in a clear contrast with the empty C 82 fullerene system.…”