Journal
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
Volume 129, Issue 7, Pages 2171-2177Publisher
AMER CHEMICAL SOC
DOI: 10.1021/ja067281g
Keywords
-
Categories
Ask authors/readers for more resources
Endohedral metallofullerenes (EMFs) have been extensively studied since their discovery in 1985. Metal-metal bonds, nevertheless, have never been explicitly observed in EMFs synthesized so far. In this contribution, we show by means of all-electron relativistic density functional computations that the dimetalloendofullerene, U-2@C-60, has an unprecedented U-U multiple bond consisting solely of sixfold ferromagnetically coupled one-electron-two-center bonds with the electronic configuration (5f pi(u))(2)(5f sigma(g))(1)(5f delta(g))(2)(5f phi(u))(1), which are dominated by the uranium 5f atomic orbitals. This bonding scheme is completely distinct from the metal-metal bonds discovered thus far in the d- and f-block polynuclear metal complexes. This finding initiates a connection of the metal-metal multiple bonding chemistry and the fullerene chemistry.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available