@inproceedings {chiong,
	title = {Ab initio study on the binding of carbon dioxide to cobalt salen complex},
	booktitle = {Proceedings of the 35th Samahang Pisika ng Pilipinas Physics Conference},
	year = {2017},
	month = {7{\textendash}10 June 2017},
	pages = {SPP-2017-3B-05},
	address = {Cebu City, Philippines},
	abstract = {Metal-organic complexes, such as metal-Schiff bases, can function as catalysts for electrochemical reduction. In this work we present first principles electronic structure calculations for the adduct formation involving carbon dioxide (CO2) and cobalt salen [Co(salen)] complex. Binding energy calculations show that carbon dioxide forms a stable adduct with [Co(salen)]$^{-}$ complex. The bonding between carbon dioxide and the cobalt metal center involves back-bonding mainly between the metal dz2 orbital and the π* orbital of CO2. An accompanying partial charge transfer from Co to CO2 was observed. This study can be used as a preliminary result to further study the structure and stability of other cobalt-carbon complexes.},
	url = {http://paperview.spp-online.org/proceedings/article/view/152},
	author = {Meliton R. Chiong III and Francis N. C. Paraan}
}
