exam_1-1 - 5.05 Principles of Inorganic Chemistry III...

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5.05 2005 Exam 1. INSTRUCTIONS This exam is not “open-book”, so do not take answers directly from the reading. Rather, you should reason out your answers based on your understanding of the material presented thus far. You may use a periodic table and other standard reference works. Work alone. Spend no more than 2 hours working on the exam. 1. Use Gaussian/Xaim to analyze vinyl chloride. a. Model building. What will you use as your initial guess as to the C-Cl interatomic distance in vinyl chloride? Where do you get this number in the absence of the helpful MOLDEN program? What is the optimized distance? b. Which of the C-H bonds does your analysis predict to be the strongest? By how much? (answer with a percentage). Explain the basis for your answer, and also explain why the analysis does or why it does not agree with your chemical intuition. c. Provide a Laplacian plot in-plane for vinyl chloride. Explain how its appearance is consistent with the answer you gave in 1b. 2.
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