Molecular Oribtal theory, anyone?

[kuenmao]

I figured that since the bonding of elements is involved, this should be regarded as chemistry...but honestly, I am not sure which forum this should go.

Anyway, my question is simple: Can anyone eplain the bonding and anti-bonding in MO theory to me? My textbook mentioned that the bonding depended on the symmetry of the electron orbitals and such...but that doesn't really say much.

Anyone here to offer some help please?

 

[chem_tr]

Hello,

I'll try to be as simple as possible, since MO theory has lost much in terms of simplicity. Barnard Shaw has said, "Real, but not beautiful; beautiful, but not real"; this sentence can be adapted to MO theory compared with crystal field theory.

Now, for simple biatomic species of second period (2p electrons are present), MO theory is still easy to understand. Please view the attachments to see the molecular orbital diagrams (simplificated) for N₂, and any other heterodinuclear molecule.

Here, for symmetric molecule, you'll see that only atomic orbitals of similar symmetry will couple with each other to make a molecular orbital. There are 2s and 2p orbitals, and two hybrid orbitals with different s/p ratios are produced, designated as "h₁" and "h₂". Let's say, h₁ orbital has 70%s/30%p; and the reverse for h₂, of course.

For energetic reasons, h₁ sees h₁ of the other atomic orbital; and pi orbitals do the same. But there is another factor; only symmetric ones can couple with the other, so pi orbitals only couple with the other pi orbital, and sp hybrid orbitals couple another sp hybrid orbital.

Now let me discuss bonding and anti-bonding concepts. If a molecular orbital occurs with involvements of two atomic orbitals, then there must be a anti-bonding orbital, because every orbital carries two electrons; and two orbitals combine. The remaining two electrons should indicate another orbital, i.e., anti-bonding. But anti-bonding orbitals are of very high energy, so these two electrons go somewhere else (of similar symmetry); according to the well-known electronic configuration rules.

If you're stuck somewhere, please let me know, and we'll try to solve it.

Regards, chem_tr

 

[ravenprp]

Hi there,

You are absolutely correct, molecular orbital theory is a fundamental concept in chemistry and is used to explain the bonding between atoms in molecules. It can be a complex topic, but let me try to break it down for you.

First, let's talk about the basic principles of molecular orbital theory. The theory is based on the idea that when atoms come together to form a molecule, the atomic orbitals (which are regions of space where electrons are likely to be found) combine to form new molecular orbitals. These molecular orbitals are spread out over the entire molecule, rather than being localized on a specific atom.

Now, let's talk about bonding and anti-bonding in molecular orbital theory. When atomic orbitals combine, they can either add constructively or destructively. When they add constructively, they form a bonding molecular orbital, which is lower in energy than the original atomic orbitals. This means that electrons are more stable in bonding molecular orbitals and will tend to occupy them. On the other hand, when atomic orbitals combine destructively, they form an anti-bonding molecular orbital, which is higher in energy than the original atomic orbitals. Electrons in anti-bonding molecular orbitals are less stable and will tend to avoid occupying them.

The symmetry of the atomic orbitals is important in determining whether they will combine constructively or destructively. If the atomic orbitals have the same symmetry, they will combine constructively and form a bonding molecular orbital. However, if the atomic orbitals have different symmetries, they will combine destructively and form an anti-bonding molecular orbital.

I hope this helps to give you a better understanding of bonding and anti-bonding in molecular orbital theory. It is a complex topic, so don't hesitate to ask for further clarification if needed. Good luck with your studies!