has apparently not been synthesized. However, calculations predict reasonable stabil...

has apparently not been synthesized. However, calculations predict reasonable stability and eclipsed geometry for this molecule, with the rings parallel. (See Q. Li, J. Guan, J. Phys. Chem. A , 2003 , 107 , 8584.)

a. Sketch the group orbitals, using the π orbitals of the cyclobutadiene rings.

b. For each of the group orbitals, identify the Ni orbitals of suitable symmetry for interaction.

c. Using the p orbitals of the ligands as a basis, construct a (reducible) representation. Reduce it to its irreducible components, and match these with appropriate orbitals on the central Ni.

d. Generate and display the molecular orbitals of Observe the orbitals showing overlap between lobes of the rings and the central Ni, and compare with your results from c .