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In MO theory molecular orbitals form by the overlap of atomic orbitals. Because σ bonds feature greater overlap than π bonds, σ bonding and σ* antibonding orbitals feature greater energy splitting (separation) than π and π* orbitals.
17 Αυγ 2006 · This paper discusses recent progress that has been made in the understanding of the electronic structure and bonding situation of carbon monoxide which was analyzed using modern quantum chemical methods.
The MO diagram shows that the $\ce{CO}$ molecule forms three filled MO's with σ symmetry and two MO's with π symmetry. Of the five filled MO's (10 electrons) formed for $\ce{CO}$, only four of them can be half-filled from carbon electrons (4 valence electrons).
Describing the electronic structure of, and the nature of the bond in, carbon monoxide in terms of simple bonding models is not a trivial task because of the unusual chemical and physical proper-ties of the molecule, the only monocoordinated carbon compound that is stable under normal conditions.
16 Μαΐ 2016 · In \ceCO \ce C O, the HOMO is the 5σ 5 σ orbital (ref: your diagram), and has mainly \ceC \ce C character. The two electrons in it act like a lone pair on the carbon. The predominant \ceC \ce C character of the HOMO accounts for the reactivity via carbon (σ σ donor.
The molecular orbital diagram of carbon monoxide (CO) illustrates the arrangement of electrons in the bonding and antibonding molecular orbitals formed from the combination of carbon and oxygen atomic orbitals.
The possibility of forming new metastable states in carbon monoxide under external conditions is described. The lifetimes of the observed electronic excited states are shown to decrease with increasing excitation power.
