Use molecular modeling software for the following problems: a. Generate and display...

Use molecular modeling software for the following problems:

a. Generate and display the π and π* orbitals of the cyclopentadienyl group, C₅H₅. Compare the results with the diagrams in Figure 13.22 . Identify the nodes that cut through the plane of the atoms.

b. Generate and display the molecular orbitals of ferrocene. Identify the molecular orbitals that result from interactions of π orbitals of the C₅H₅ ligands with iron. Locate orbitals that show interactions of metal d_xz and d_yz with the ligands, and compare with the diagrams preceding Figure 13.27 .

c. Compare the relative energies of the molecular orbitals with the molecular orbitals shown in Figure 13.28 . How do the relative energies of the orbitals in the box in Figure 13.28 compare with the results of your calculations?

d. The orbital is often described as essentially nonbonding in ferrocene. Do your results support this designation?