The chemical descriptors: (µ), (η), and (ω) are shown in Table 2 and 4 respectively. When the CO₂, H₂, N₂ and CH₄ are adsorbed on [La-MPBCP]⁺³, the values of η increase from 0.67 eV to 1.09, 0.88, 1.01 and 0.99 eV, respectively.. These results indicate that the interaction of gas molecule with [La-MPBCP]⁺³ the chemical stabilities of system are maintained. The difference of electrophilicity (ω) values in the system gas-[La-MPBCP]⁺³ are 76.29-CO2, 100.78-H2, 85.10-N2 and 86.15-CH4 eV.. The difference between electrophilicity values indicates the strong interactions between the donor (gas) and the acceptor (lanthanum).