Figure 6 . NBO donor and acceptor orbitals responsible for intermolecular interactions of gas molecule onto MPBCP or [La-MPBCP]+3 systems. Donor orbitals are in red color, while acceptor orbitals are represented in blue color.
Table 5 . Donor and acceptor orbitals for interactions from all gas molecules toward La-MPBCP or [La-MPBCP]+3 systems.