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(b) The diamagnetic molecule [XeF4] could potentially adopt either of two structures based on an octahedral shape. Starting from the reducible representations for Xe-F ?-bonding and valence s and p orbitals on Xe, generate a fully labelled molecular orbital energy level diagram for both of these shapes. (12 marks) (c) Determine the number of peaks expected in the Photoelectron Spectrum (PES) of each structure in part (b) and the number of those peaks that will not have Xe-F vibrations associated with them. Use this information to explain whether the structure could be unambiguously assigned from the PES data. (6 marks)
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The two possible structures are square planar (D4h) and distorted octahedral (C4v). Show more…
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