how to sketch a molecular orbit diagram
please explain in depth
I will stick to diatomic molecules for simplicity. Some general steps are:
Some general rules or tips are:
Let's construct an MO diagram for CO.
CHOOSE YOUR ATOMIC ORBITALS & AXES
ATOMIC ORBITAL ENERGY DIAGRAM
From the original atomic orbital energies, we then construct the two atomic orbital energy diagrams:
(On an exam, you may only be expected to work with homonuclear diatomic molecules, in which case you probably don't have to worry about relative energies.)
GENERATION OF MOLECULAR ORBITALS
Then, each pair of atomic orbitals generates molecular orbitals as follows. Here is an ns interaction:
For lithium through nitrogen (including nitrogen), orbital mixing occurs, so that the σnpz orbital is higher in energy than the πnpx and πnpy orbitals.
Therefore, carbon has its energy ordering switched compared to oxygen, and so, the np interactions look like this:
OVERALL MO DIAGRAM
Now put it together to get:
Note that on an exam, you probably aren't expected or required to know exactly how the interactions go. It's enough to know the relative energies of the molecular orbitals compared to the atomic orbitals, and to know how many valence electrons go in.
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