Question

(i) In theory [NiCl4] 2- can adopt a square planar (D4h) or a tetrahedral (Td) geometry. (a) For the square planar geometry and using a Cartesian basis set, determine the reducible representation Γ3N (call it Γ3N-D4h). Note: The C2' are parallel to the v and the C2" are parallel to the d. [2 marks]

(b) Give the reduction formula for reducing reducible representations into irreducible representations of a point group. [1 mark]

(c) Show that Γ3N-D4h = A1g + A2g + B1g + B2g + Eg + 2A2u + B2u + 3Eu. [3 marks]

(d) Using a Cartesian basis set for the tetrahedral geometry, determine the reducible representation Γ3N (call it Γ3N—Td). [2 marks] (cannot use the irreducible representation)

Answer 1