CHM3417 Spring '98
 Winn, "Physical Chemistry"

Week 2
Read Pages 349-383 (Chapter 11)
Problems (due Tuesday 1/20):

Chapter 11:

11.3(we have some of these lasers), 11.12, 11.14, 11.15 and 11.16(Pages 383-384)

Calculate, using the semi-empiricle method of your choice (and perhaps even a version of HyperChem), the bond lengths and bond strengths of the following molecules:

H2, He2, O2 , N2
Perform a calculation for the lowest TRIPLET state as well as the lowest SINGLET state.

Let's all do a different method so we can compare results with each other and experiment.

Here's some results I obtained with HyperChem Lite.



Week 3
Read Pages 388-415 (Chapter 12)
Problems (due Monday 1/26):

Chapter 12:

12.3, 12.4, 12.11, 12.17, 12.18 (Pages 443 - 445)

Calculate, using the same semi-empiricle method of you used last week, the bond lengths as well as the bond dissociation energies of the following molecules:

HF, HCl, LiCl, NaCl.
Perform a calculation for the appropriate spin state for the ground state of each molecule.

Here's some results I obtained with HyperChem Lite.



Week 4
EXAM #1 (Wednesday 2/4/98)

  • Two Sample Exam I's. One without answers and one with answers
    • Material: Chapter 11, 12 (Pages 349 - 442) in the text and the Lecture Notes

    Calculate, using the semi-empiricle method of your choice, the equilibrium bond angle of NO2 in its electronic ground state. What is the shape of the orbital that makes this molecule bent? What is the IP of this radical? What are the real bond angle and IP for this molecule?



    Week 5
    Operator Methods
    The best place to review this material is the Lecture Notes

    Calculate, using the semi-empiricle method of your choice, the equilibrium bond angles of the water, ammonia, formaldehyde, and acetone molecules in their ground states. What is the carbonyl vibrational frequency in the latter two molecules? What are the real bond angles and frequencies for these molecules?



    Week 6
    The Hydrogen Atom
    ReRead Winn, pages 415-435; Solve problems 12.29, 12.30, 12.32, 12.38, 12.48, 12.49, 12.50

    The solvated hydrogen ion, H+aq, is arguably the most important ion in chemistry. Yet, the structure and properties of this ion are largely ambiguous. A reasonable description of this ion is that of a proton bound water cluster, i.e. H3O+ .(H2O)n where n is some small number

    Calculate the geometry (bond lengths, angles) and IR spectrum (prominent bands only) for the ionic H3O+ .(H2O)n cluster with n=0, 1, 2, 3.

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