Theoretical ab initio study of anion-π interactions in inorganic rings

► Energetic and geometric features of unprecedented anion-π complexes involving inorganic rings at the RI-MP2/aug-cc-pVDZ. ► Molecular Electrostatic Potential Surfaces of five six-membered inorganic rings. ► Partitioning of the interaction energy using DFT-SAPT. ► Experimental evidences from the CSD database.