Q.4 Write down the secular determinant for a C-O pi-bond where the C and O atoms each contribute 1 electron and α0​=α+2.0β

(i) Determine both π-orbital energies

(ii) Calculate the total π-electronic energy

(iii) Estimate the bonding energy arising from the π-bond.

(iv) Determine the MOs

(v) Calculate the partial charges on both atoms (arising from the π-bond)

Write down the secular determinate for the allyl radical:
CH2==CH--CH2 and estimate the PI binding energy.

Solve the secular determinant for butadiene to obtain the MO energies. Pictorially depict the molecular

orbital shapes and draw the energy level diagram of the MOs.

Write out the secular determinant for the H3 plus cation. Solve the secular determinant and obtain the MO energies (eigenvalues) in terms of the coulomb integral and resonance integral.