首页|Magnesium dimer entrapped in cyclo[18]carbon: Mg-2@C-18
Magnesium dimer entrapped in cyclo[18]carbon: Mg-2@C-18
扫码查看
点击上方二维码区域，可以放大扫码查看
原文链接
NSTL
Elsevier
The recent discovery of cyclo[18]carbon has attracted widespread attention. Density functional theory (DFT) study was carried out to evaluate the viability of the encapsulation of magnesium dimer inside the all-carboatomic ring, that is, Mg-2@C-18. Results indicated that Mg-2@C-18 possesses a perfect endohedral structure. Charge transfer resulted in forming typical [Mg-2](2+)[C-18](2-) ionic complexes. The high stability of the complex could be due to the strong electrostatic interaction between the guest Mg-2 and the host C(18 )ring. The structure and bonding properties of the C-18 ring of the system is different from those of pristine cyclo[18]carbon. Mg-2@C-18 shows remarkable aromatic character.
NSTL
Elsevier
