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How does the molecular orbital theory explain the bonding and properties of CO molecule?

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Molecular Orbital  MO  Theory is a method for understanding the electronic structure of molecules by considering how atomic orbitals combine to form molecular orbitals. These molecular orbitals are then filled with electrons, which determine the molecule's properties, such as its bonding and stability.In the case of the carbon monoxide  CO  molecule, the bonding and properties can be explained using MO theory as follows:1. Formation of molecular orbitals: The CO molecule is formed by the overlap of atomic orbitals from the carbon  C  and oxygen  O  atoms. The 2s and 2p orbitals of both atoms are involved in the formation of molecular orbitals. When these atomic orbitals combine, they form bonding and antibonding molecular orbitals.2. Filling of molecular orbitals with electrons: The CO molecule has a total of 10 valence electrons  4 from carbon and 6 from oxygen . These electrons fill the molecular orbitals in the order of increasing energy. The order of energy levels for CO is 2s < 2s* < 2p < 2p = 2p < 2p* < 2p* = 2p*.3. Bond order: The bond order is calculated as the difference between the number of electrons in bonding and antibonding orbitals divided by 2. For CO, there are 8 electrons in bonding orbitals  2s, 2p, 2p, and 2p  and 2 electrons in antibonding orbitals  2s* . The bond order is  8-2 /2 = 3, which indicates a triple bond between the carbon and oxygen atoms.4. Bonding and properties: The triple bond between carbon and oxygen in CO results in a strong, covalent bond, making the molecule very stable. The presence of a triple bond also leads to a short bond length and high bond energy. Furthermore, the presence of two unpaired electrons in the 2p* antibonding orbitals gives CO the ability to act as a ligand and form coordination complexes with transition metals.5. Polarity: The electronegativity difference between carbon and oxygen leads to a polar bond, with a partial positive charge on the carbon atom and a partial negative charge on the oxygen atom. This results in a dipole moment for the CO molecule, making it a polar molecule.In summary, MO theory explains the bonding and properties of the CO molecule by considering the formation and filling of molecular orbitals, which results in a triple bond between carbon and oxygen, a stable and polar molecule with a short bond length and high bond energy, and the ability to form coordination complexes with transition metals.
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