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(17 points) Q8) The point group of the attached complex is C4y, where M is a transition metal: Use the 4 vectors (pz orbitals) as
(17 points) Q8) The point group of the attached complex is C4y, where M is a transition metal: Use the 4 vectors (pz orbitals) as a basis set. Also, ignore the L4 part in the i) Find the reducible representation I of the four Pz orbitals on the C4H4 ring. structure. ii) Find the irreducible representations for the SALCs. iii) Using projection operators determine the normalized wave function of each SALCs: Use correlation with Ca point group to simplify work e.g. 41 = 1/6 [01+ O2+ .............] Use the attached numbering system for the pz orbitals iv) Draw the appropriate pictorial representations of the four SALCs and arrange them based on their energies. 1. Which atomic orbitals on M have the correct symmetry to combine with each ligand SALC. vi) What type of bond is formed between the dx2-y2 atomic orbital and the appropriate SALCs ? Draw a pictorial representation of this bond showing the points of interaction based on the given x,y,z coordinates. Show your detailed work Z ML4 3 2 1 2 (17 points) Q8) The point group of the attached complex is C4y, where M is a transition metal: Use the 4 vectors (pz orbitals) as a basis set. Also, ignore the L4 part in the i) Find the reducible representation I of the four Pz orbitals on the C4H4 ring. structure. ii) Find the irreducible representations for the SALCs. iii) Using projection operators determine the normalized wave function of each SALCs: Use correlation with Ca point group to simplify work e.g. 41 = 1/6 [01+ O2+ .............] Use the attached numbering system for the pz orbitals iv) Draw the appropriate pictorial representations of the four SALCs and arrange them based on their energies. 1. Which atomic orbitals on M have the correct symmetry to combine with each ligand SALC. vi) What type of bond is formed between the dx2-y2 atomic orbital and the appropriate SALCs ? Draw a pictorial representation of this bond showing the points of interaction based on the given x,y,z coordinates. Show your detailed work Z ML4 3 2 1 2
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