Chapter 5 - Molecular Orbitals Flashcards
d orbital: z2
d orbital x2-y2
dxy
dyz
dxz
π-bond
a change in sign in the wave function with C2 rotation about the bond axis
one node including the line between nuclei
δ-bond
change in sign on C4 rotation about the bond axis
two nodes including the line between nuclei
σ-bond
orbitals are symmetric to rotation about the line connecting the nuclei
no nodes that include the line between nuclei
Conditions for formation of molecular orbitals from atomic orbitals
- Correct symmetry
- Correct/similar energies
- Correct/close enough distances
The ___ the energy match between atoms, the stronger the interaction
closer/lower
Two atomic orbitals have a very large difference in energy. How strong will the interaction between them be?
Very weak. If the atomic orbitals have a very large energy difference, then the resulting molecular orbitals will have energies and shapes closer to the original atomic orbitals.
Bond order
Bond order = 1/2 (# bonding electrons - #antibonding electrons)
gerade
g = gerade, orbitals symmetric (same sign) on inversion
ungerade
u = ungerade, orbitals antisymmetric (signs change) on inversion
Orbital mixing
When molecular orbitals have similar (1) symmetry and (2) energies (e.g. σg/σg*(2s) and σg/σg*(2p) ), then they can interact to magnify the energy differences–lowering the energy of the lower orbital and raising the nergy of the higher orbital