Question

a) Using molecular orbital theory, draw the energy patterns of the following:
i) B2
ii) O2
Comments on the difference between the two patterns

Answer 1

Answer on Question #44193-Physics-Quantum Mechanics

Using molecular orbital theory, draw the energy patterns of the following:

i) B2

ii) O2

Comments on the difference between the two patterns

Solution

M.O. Diagram for $\mathbf{B}_2$

M.O. Diagram for $\mathbf{O}_2$

No $s - p$ mixing

B have $\frac{1}{2}$ filled 2p orbitals, but O have $>\frac{1}{2}$ filled 2p orbitals.

Having $> \frac{1}{2}$ filled 2p orbitals raises the energies of these orbitals due to $e^{-} - e^{-}$ - repulsion: electrons repel each other because they are negatively charged.

If 2 electrons are forced to be in the same orbital, their energies go up.

s-p mixing only occurs when the s and p atomic orbitals are close in energy ( $\leq \frac{1}{2}$ filled 2p orbitals).

s-p mixing

No s-p mixing

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