through a multi-step mechanism with DFT simulations. In more recent unpublished findings by our team, the fifth and sixth row metal congeners of potassium tetraperoxovanadate, namely x -(see Methods section for complete details), the system has been simplified such that role of the metal center can be isolated from competing factors relating to the alkali counterions and other reagents present in the reaction medium. The conclusions derived herein contribute both to the understanding of the bonding nature of tetraperoxometalates and the design of more efficient carbon capture materials.