The Stability and Properties of M^n+ @ C26-2nBnNn (M= alkaline and earth alkaline metals; n=0, 3) Complexes for Synthesis Application

The structural and electronic properties of c24-2nbnnn and m@ c24-2nbnnn (m= alkaline and earth alkaline metals; n=3 and 6) molecules are studied using the density functional theory (dft). it was found that the most interaction is in m@ c24-2nbnnn complexes (m=be, mg; n=3 and 6). the negative nucleus-independent chemical shifts confirm that c24-2nbnnn (n=3 and 6) cages exhibit aromatic characteristics. the molecular analysis reveals a linear correlation between isotropic polarizability values and homo-lumo gaps energies in stable complexes .