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- What is the maximum possible degree of degeneracy of the orbitals in benzene?Q. (i)If a homonuclear diatomic molecule is oriented along z-axis, determine the molecular orbital formed by the linear combination of atomic orbitals of the two atoms. Also draw their resulting structure. Determine the orbital having two radial nodes and two angular nodes and also give reason to support your answer. (ii)The signs of the unsquared wave functions are usually shown in plots of the squared functions. Why do you think this practice exists? Give values of angular nodes and plane of 3p, 4d, 2p, 4f, 4s.Write the valence bond wavefunction for the one cr andtwo n bonds in a nitrogen molecule, N2 .
- write the sentence that corresponds to this matrix [5, 3, 1, 1/2]Use the matrix representatives of the operations σh and C3 in a basis of 2pz orbitals on each atom in BF3 to find the operation and its representative resulting from C3σh. Take z as perpendicular to the molecular plane.Construct the molecular orbitals of NH2- ion and give the initial wavefunction of LUMO using proper atomic orbitals as basis.
- Construct the wavefunction of the π MO from the 2pz atomic orbitals perpendicular to the plane of the C atoms. How many π MO result from the available 2pz A.O.?Show that all three sigma v operations in the group D3h belong to the same class.For monocyclic conjugated polyenes (such as cyclobutadiene and benzene) with each of N carbon atoms contributing an electron in a 2p orbital, Huckel theory gives the fol lowing expression for the energies Ek of the resulting π molecular orbitals Calculate the energies of the 1t molecular orbitals of benzene and cyclooctatetraene. Comment on the presenceor absence of degenerate energy levels. (b) Ca lcu late and compare the delocalization energies of benzene and hexatriene using the expression from the preceding problem. What do you conclude from your results? (c) Calculate and compare the delocalization energies of cyclooctatetraeneand (linear) octatetraene. Are your conclusions for th is pair of molecules the same as for the pair of molecules investigated in part (b)?