A Basic Quantum Chemical Review on the Activation of CO2

The basic quantum chemical review of CO 2 activation is presented. The molecular properties are discussed, describing the single molecule of CO 2, its geometry, wave functions, charges, and spectroscopic properties of vibrational frequencies, in vacuum and solutions. An answer to “ What is the activation of CO 2? ” from the quantum chemical viewpoint is presented. Finally, the discussion will attempt to bridge these quantum chemical features and experimental facts.