inorganic chemistry: complete the following worksheet

inorganic chemistry: complete the following worksheet

Homework #16
Assigned March 5, 2021;
Due March 10, 2021
BeF2 is a molecule which can be observed in the gas phase, where it is found to be linear.
We will use the D2h character table for this molecule.
1. First, consider only the 2p orbitals on the fluorine atoms. These can be combined to
make the following group orbitals or symmetry-adapted linear combinations (SALCs):
Assign irreducible representations to these group orbitals.
2. Assign an irreducible representation to the 2s orbital on the central Be atom.
3. Using only the F 2p and Be 2s orbitals, draw a simple molecular orbital diagram for
this molecule.
4. Because the Be 2p orbitals are close to the Be 2s orbital in energy, then we should also
consider how the Be 2p orbitals might interact with the group orbitals shown in question
#1. We will ignore the F 2s orbital because it is too far away in energy.
a. Assign irreducible representations to the 2p orbitals on the central Be atom.
b. Draw a new molecular orbital diagram that considers the interaction of the F 2p
orbitals with both the Be 2s and Be 2p orbitals.
5. Are the highest occupied molecular orbitals bonding, non-bonding, or antibonding?