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5. Energies electron subtraction and addition. Make simple 2-level models for forward and back-donation between BF3 (electron acceptor) and NH3 (electron donor) based on the

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5. Energies electron subtraction and addition. Make simple 2-level models for forward and back-donation between BF3 (electron acceptor) and NH3 (electron donor) based on the following data: BF3 ionization energy = +15 ev, electron affinity = + 2.5 eV NH3 ionization energy = +10 ev electron affinity = - 2.0 eV (a) Make an estimate for the relevant HOMO and LUMO energies from the data above (explain the basis for your estimate). (b) Make a guess for what the matrix element coupling (W) HOMO(NH3) with LUMO(BF3) should be (sign, magnitude), explaining your reasoning carefully (energy or spatial considerations). The geometry of the complex is F3B... NH3. (c) Then construct and diagonalize the 2 by 2 matrix describing electron donation from NH3 to BF3 and report your predicted energy lowering in kcal/mol (1 eV 100 kJ/mol), and show the new eigenvector you obtain and discuss it. (d) Repeat steps (b) and (c) for HOMO(BF3) coupled to LUMO(NH3). Justify in particular why your value for the coupling (W) is the same, or larger, or smaller and compare your energy lowering and eigenvectors

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