Carbon dioxide (CO 2 ) plays a key role in controlling the temperature of the Earth. But the increase in the concentration of CO 2 in the atmosphere brings with it a series of consequences, originating several environmental problems. The use of electrochemical, spectroscopic and molecular dynamics techniques are useful toolkits to valorize carbon dioxide, and to know the reduction mechanism as a function of CO 2 concentration, the cathode nature, and the electrolyte. This manuscript will be mainly centered in the use of ionic liquids (IL) for efficient CO 2 capture and valorization into different valuable products thanks to the CO 2 electrochemical reduction. In this sense, spectroelectrochemistry based on cyclic voltammetry coupled with Polarization Modulation-Infrared Reflection-Absorption Spectroscopy (PM-IRRAS) and Infrared Reflection-Absorption Spectroscopy (IRRAS) appear to be an efficient instrument to follow the CO 2 reactivity in imidazolium ionic liquids. Finally, we present molecular dynamics paired with cyclic voltammetry in order to calculate the diffusion coefficient of CO 2 and the number of electrons involved in its reduction process, respectively. Therefore, the current research opens the door to the use of theoretical-experimental approaches altogether to determine how is the CO 2 reduction mechanism. The CO 2 reduction products in function of the solvent and nature of the cathode is suggested, proving that the product obtained from the electrochemical reduction of CO 2 depends on the electrode material and the solvent.