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

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The discussion centers on the bonding characteristics of carbon monoxide (CO) with metals, specifically focusing on the role of antibonding molecular orbitals. It is established that the antibonding orbitals in CO possess a greater carbon character due to carbon's lower electronegativity compared to oxygen. As a result, the bond between CO and metals, such as iron in hemoglobin, is expected to form primarily through the carbon atom. The concept of backbonding is also highlighted as a critical factor in understanding this interaction.

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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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