Covalent Bonding Between Be⁺and CO₂in BeOCO⁺with a Surprisingly High Antisymmetric OCO Stretching Vibration

The cationic complex BeOCO+ is produced in a solid neon matrix. Infrared absorption spectroscopic study shows that it has a very high antisymmetric OCO stretching vibration of 2418.9 cm–1, which is about 71 cm–1 blue-shifted from that of free CO2. The quantum chemical calculations are in very good agreement with the experimental observation. Depending on the theoretical method, a linear or quasi-linear structure is predicted for the cation. The...