A Typical binding energies of sigma-orbitals

Click For Summary
Typical electron binding energies for conjugated materials like pentacene show that carbon 1s energy is around -285 eV, while 2π and 2π* binding energies range from -10 eV to -2 eV, depending on the conjugation size. However, data on 2σ and 2σ* binding energies is scarce, despite expectations that they should be consistent across different conjugated systems. It is suggested that 2σ energies would be located below the 2π levels, while 2σ* energies might be positive. The discussion points towards using Extended Hückel Theory (EHT) to find these parameters. Understanding these binding energies is crucial for characterizing the electronic properties of conjugated materials.
Nabla94
Messages
3
Reaction score
0
I'm interested in typical electron binding energies of conjugated materials such as pentacene. The carbon 1s energy is easy to find in literature (-285 eV), typical 2π and 2π* binding energies are in the range of few eV (-10 eV ... -2 eV) depending on the size of the conjugated system. But typical 2σ and 2σ* binding energies, which should be rather independent of the conjugated system (just like C 1s) are difficult to find. They should be located below and above those of 2π and 2π*, respectively. Does this mean that 2σ* energies are positive?
 
Physics news on Phys.org
I would look up parameters from Extended Hückel Theory (EHT).
 

Similar threads

  • · Replies 3 ·
Replies
3
Views
2K
  • · Replies 9 ·
Replies
9
Views
3K
  • · Replies 2 ·
Replies
2
Views
10K
Replies
4
Views
10K
Replies
3
Views
4K
  • · Replies 8 ·
Replies
8
Views
2K
Replies
7
Views
5K
  • · Replies 3 ·
Replies
3
Views
4K
Replies
2
Views
2K
  • · Replies 11 ·
Replies
11
Views
4K