title: Gadolinium-based mixed-metal nitride clusterfullerenes Gd(x)Sc(3-x)N@C80 (x=1, 2).
abstract: The first gadolinium-based mixed-metal nitride clusterfullerenes Gd(x)Sc(3-x)N@C(80) (I) (1, x=2; 2, x=1) have been successfully synthesized by the reactive gas atmosphere method and isolated facilely by recycling high-performance liquid chromatography (HPLC). The sum yield of 1 and 2 is 30-40 times higher than that of Gd(3)N@C(80) (I). Moreover, an enhanced relative yield of 2 over the Sc(3)N@C(80) (I) is achieved under the optimized synthesis conditions. According to the UV/Vis/NIR spectroscopic characterization, 1 and 2 are both stable fullerenes with large optical band-gaps while 1 has higher similarity to Gd(3)N@C(80) (I) and 2 resembles Sc(3)N@C(80) (I). The vibrational structures of 1 and 2 are studied by Fourier-transform infrared (FTIR) spectroscopy as well as density functional theory (DFT) computations. In particular, the structures of the encaged Gd(x)Sc(3-x)N clusters within 1 and 2 are analyzed.
authors.affiliation: Group of Electrochemistry and Conducting Polymers Leibniz-Institute for Solid State and Materials Research Dresden 01171 Dresden, Germany. s.yang@ifw-dresden.de
authors.forename: Shangfeng
authors.initials: S
authors.lastname: Yang
authors.forename: Martin
authors.initials: M
authors.lastname: Kalbac
authors.forename: Alexey
authors.initials: A
authors.lastname: Popov
authors.forename: Lothar
authors.initials: L
authors.lastname: Dunsch