CHE 450 HW#5 Due Date: Mon. Nov. 13 Fall 2006Reading Assignments: Miessler and Tarr Inorganic Chemistry, 3rd Ed.Chapters 5, 9, & 10Volatron and Burdett (available at library reserve desk)Molecular orbital diagrams, fragment orbitals, andcorrelation diagrams(1) Generate the molecular orbital diagrams for (a) CS, (b) H3+ (linear case), and (c) H3+ (triangular case). Determinewhich isomer of H3+ is most stable using your molecular orbital diagrams.(2) Determine the most stable molecular structure for CH2. Would you expect BH2 to adopt a similar structure? Hint: Use acorrelation diagram (Walsh) to determine how the orbital energies change as a function of bending.(3) Construct the molecular orbital diagrams for (a) AB4 (Td case) and (b) AB6 (Oh case) where A is a first-row transitionmetal atom and B is a hydrogen atom. Hint: Use the same methodology employed in (2), but recall that the B atomsare not necessarily planar in this case.(4) Using a fragment orbital approach construct a molecular orbital diagram for NH3. Construct a second diagramconsidering s-p mixing.I suggest working in groups for this assignment. I would also suggest working on it each day as it is intended to takeseveral sessions to complete and most likely cannot be completed overnight.
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