ja5b10115_si_003.cif (712.76 kB)
Entrapping a Group-VB Transition Metal, Vanadium, within an Endohedral Metallofullerene: VxSc3–xN@Ih‑C80 (x = 1, 2)
dataset
posted on 2016-01-13, 00:00 authored by Tao Wei, Song Wang, Xing Lu, Yuanzhi Tan, Jing Huang, Fupin Liu, Qunxiang Li, Suyuan Xie, Shangfeng YangSo
far the entrapped metals for the isolated endohedral metallofullerenes
(EMFs) are primarily limited to rare earth metals, whereas except
group-IVB metals, whether it is possible to entrap other d-block transition
metals remains unclear. Herein we report the successful entrapment
of the group-VB transition metal vanadium(V) into fullerene cage,
affording the heretofore unknown V-containing EMFs. Two novel V-containing
EMFsVxSc3–xN@C80 (x = 1, 2)were
isolated, and their molecular structures were unambiguously determined
by X-ray crystallography to be Ih(7)-C80 cage entrapping the planar VSc2N/V2ScN clusters. VxSc3–xN@Ih(7)-C80 (x = 1, 2) were
further characterized by UV–vis–NIR and ESR spectroscopies
and electrochemistry, revealing that the electronic and magnetic properties
of VxSc3–xN@Ih(7)-C80 (x = 1, 2) are tunable upon varying the
number of entrapped V atoms (i.e., x value). The
molecular structures and electronic properties of VxSc3–xN@Ih(7)-C80 (x = 1, 2) were further compared with those of the reported analogous
EMFs based on lanthanide metals and the adjacent group-IVB transition
metal Ti, revealing the peculiarity of the group-VB transition metal
V-based EMFs.