Understanding N-Atom Levels & Band Filling in C2

The 2pzb orbital would indeed be a separate level, but the 2pxb and 2pyb orbitals would be combined into one level due to their similar energies and symmetry. In summary, the 2p orbitals of C2 atoms are split into bonding and antibonding sets, resulting in three 2pb levels and one 2pzb level.
  • #1
roeb
107
1
This first one is ok and I understand it:

1) Say that n =2 and l = 0. How many 'levels' does it have for N atoms?

Ans: So I can easily draw a line for 1s and 2s and say that there will be 2N levels. But I am having problems with some more complex situations.

But:
2) Say n = 2. How many levels does it have for N atoms?

Ans: According to my book it's 8N.
So for 1s and 2s there are 2N levels.
For 2p there are 3N levels.
Which would make me think 5N...

I'm not really sure why this is. Is it because there is a loss of the m-degeneracy? (Why would that occur?) Or is there something else? (2s-2p coupling?)------------------------------------------------------------
A second related question is again on the 'levels' of a C2 atom.1) Say we have many C2 atoms (N units). How are the bands filled?

My professor uses a nonstandard labeling system - (2pb = 2p pi (bonding) and 2pan = 2p pi* (antibonding))
This picture is from my notes and it shows a single C2 atom (without the electrons drawn in)
http://img367.imageshack.us/img367/5725/bandtheoryuj3.th.png

My question is: Why are there 3 2pb levels? The only reason I can think of is if the m-degeneracy goes away, but why would it go away? I know that when wavefunctions overlap they cause splitting. So it this just because of the wavefuction overlap?
If anything I would think 2pzb would be a separate level and 2pxb / 2pyb would be on the same level (2N)

I realize that ml = -1, 0, 1 when l = 2 (p orbital) but since we are dealing with antibonding and bonding, I still would think 2N and not 3N...
 
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  • #2
Ans: The 3 2pb levels are created due to the wavefunction overlap between the two C2 atoms. The bonding and antibonding orbitals have different energies, so this causes a splitting of the energy levels into bonding and antibonding sets. This splitting is known as the "Ligand Field Splitting". The ml degeneracy is kept intact within each set, but the higher energy antibonding orbitals are slightly shifted away from the lower energy bonding orbitals. Thus, the three 2pb levels you see in your diagram.
 

1. What are N-atom levels in C2?

N-atom levels in C2 refer to the energy levels or orbitals that are occupied by electrons in a carbon dimer molecule. These levels are represented by the quantum numbers n, l, and m, which determine the energy and spatial distribution of the electrons.

2. How does band filling occur in C2?

Band filling in C2 occurs when electrons occupy the available energy levels or orbitals in the molecule. As more electrons are added, they fill up the lower energy levels first before moving on to higher energy levels, resulting in a band-like distribution of energy levels.

3. What is the significance of N-atom levels and band filling in C2?

N-atom levels and band filling in C2 are important for understanding the electronic structure and properties of the molecule. They determine the chemical reactivity, bonding, and physical properties of C2, such as its conductivity and optical properties.

4. How does the number of atoms in C2 affect N-atom levels and band filling?

The number of atoms in C2 does not affect the N-atom levels or band filling significantly. However, it can affect the overall energy and stability of the molecule, which can indirectly impact the distribution of electrons in the orbitals.

5. Are there any other factors that can influence N-atom levels and band filling in C2?

Yes, several factors can influence N-atom levels and band filling in C2, such as the presence of external electric or magnetic fields, temperature, and the degree of molecular symmetry. These factors can alter the energy levels and distribution of electrons, leading to changes in the properties of C2.

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