CHEM 342. Spring 2002.  Next PS   Previous PS  Answers  PS#5.doc (Word97)  

 

Problem Set #5

 

Note: Relevant Chapters in Mortimer are Chapters 17 and 18.

Born-Oppenheimer Approximation

1. What is the main assumption of the Born-Oppenheimer approximation?

2. Using the Born-Oppenheimer approximation, write the Hamiltonian for the H2 molecule (2 electrons).

 

Variation Method; LCAO-MO

3. Determine the energy for in terms of Haa, Hab, and S using the variation method.

 

Normalization; Hybrid Orbitals

4. Show that the sp2 hybrid orbital is normalized if the s and p orbitals are also normalized.

 

Electronic Configuration for Atoms & Molecules; Pauli Exclusion Principle

5. What are the electron configurations for     ?

6. Which of the following transitions are allowed in the normal electronic emission spectrum of an atom

    1. 2s to 1s
    2. 2p to 1s
    3. 3d to 2p

7. Write the electronic configurations for N2, N2+, N2-.

 

Term Symbols for Diatomics; Electronic Transitions

8. Determine the complete term symbol for each of the following electronic configurations

9. Write the electronic configuration for Li2, and predict the term symbol for the ground level.

10. Which of the following electronic transitions are allowed?

11. The ground-level term for a heteronuclear diatomic molecule is . Write the term symbols of the electronic transitions allowed for this molecule.


PLEASE NOTE

  • The work you hand in should be neat and well organized, and it should show the strategy and steps you used in solving the problems, as well as the bottom-line answers (or solutions). In grading the problems, both your work-up and your final answers/solutions will be examined and evaluated.
  • The work handed in for grading must carry a pledge that the work is entirely yours and was done without any collaboration with other persons (except for the course instructor and TA's). You are encouraged to work with others in doing the exercises and problems found in the textbook, but all work handed in for grading should be done independently.