Q: What is the role of antibonding orbitals in CO bonding with metals?

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The discussion centers on the bonding of carbon monoxide (CO) with iron (Fe) in hemoglobin, specifically which atom of the CO molecule interacts with Fe. It is noted that the antibonding molecular orbitals, which exhibit greater carbon character due to carbon's lower electronegativity compared to oxygen, suggest that the bond is likely to form through the carbon atom. The conversation also raises the question of the relevance of antibonding orbitals in this context, hinting at the concept of backbonding in CO, which involves the interaction between the metal and the antibonding orbitals of CO. This interaction plays a crucial role in the overall bonding dynamics between CO and Fe in hemoglobin.
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Q：Which atom of CO molecule will bond with Fe in hemoglobin? discuss in MO diagram and theory.

A : Because the antibonding molecular orbitals have more carbon character (carbon is less electronegative than oxygen), one would expect the bond to form through carbon.

please tell me. Why we have to consider the antibonding? Is the antibonding has something to do with bonding with the metal?
 
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