Probing the Electronic Structure of the CoB16- Drum Complex: Unusual Oxidation State of Co-1
- Received Date: 2019-03-17
- Photoelectron spectroscopy, Metal-boron clusters, Ab initio calculations, Chemical bonding
Abstract: Since the discovery of the first drum-like CoB16- complex, metal-doped drum-like boron nanotubular structures have been investigated with various metal dopants and different tubular size, forming a new class of novel nanostructures. The CoB16- cluster was found to be composed of a central Co atom coordinated by two fused B8 rings in a tubular structure, representing the potential embryo of metal-filled boron nanotubes and providing opportunities to design one-dimensional metal-boron nanostructures. Here we report improved photoelectron spectroscopy and a more in-depth electronic structure analysis of CoB16-, providing further insight into the chemical bonding and stability of the drum-like doped boron tubular structures. Most interestingly, we find that the central Co atom has an unusually low oxidation state of ?1 and neutral CoB16 can be viewed as a charge transfer complex (Co-@BB16+), suggesting both covalent and electrostatic interactions between the dopant and the boron drum.
|Citation:||Wan-Lu Li, Teng-Teng Chen, Zhi-Yu Jiang, Wei-Jia Chen, Han-Shi Hu, Lai-Sheng Wang, Jun Li. Probing the Electronic Structure of the CoB16- Drum Complex: Unusual Oxidation State of Co-1[J]. Chinese Journal of Chemical Physics , 2019, 32(2): 241-247. doi: 10.1063/1674-0068/cjcp1903050|