Journal article
Synthesis and structure of LaSc2N@C(s)(hept)-C80 with one heptagon and thirteen pentagons
Leibniz Institute for Solid State and Materials Research, Helmholtzstrasse 20, 01069 Dresden (Germany).1
The synthesis and single-crystal X-ray structural characterization of the first endohedral metallofullerene to contain a heptagon in the carbon cage are reported. The carbon framework surrounding the planar LaSc2N unit in LaSc2N@C(s)(hept)-C80 consists of one heptagon, 13 pentagons, and 28 hexagons.
This cage is related to the most abundant Ih-C80 isomer by one Stone-Wales-like, heptagon/pentagon to hexagon/hexagon realignment. DFT computations predict that LaSc2N@C(s)(hept)-C80 is more stable than LaSc2N@D5h-C80, and suggests that the low yield of the heptagon-containing endohedral fullerene may be caused by kinetic factors.
| Language: | English |
|---|---|
| Publisher: | WILEY‐VCH Verlag |
| Year: | 2015 |
| Pages: | 495-499 |
| ISSN: | 14337851 and 15213773 |
| Types: | Journal article |
| DOI: | 10.1002/anie.201409094 |
