Physics 8420, Fall 2008
TT 11.00-12.15
Room 272
NSC
Dr. Gary Hastings


Textbook

"Molecular Quantum Mechanics"
P. W. Atkins and R. S. Friedman (4th edition)

Instructor

Dr. Gary Hastings

Office

410 Science Annex

Internet

http://www.phy-astr.gsu.edu/hastings/

Phone

(404) 413-6055

E-mail:

ghastings@gsu.edu

Office Hours

By arrangement

Last day to withdraw

October 1

Class Begins

August 19

Class Ends

December 4

   

 

 

Lecture Notes

Chapters 1-2

Chapter 3

Chapter 5

Chapter 6 part 1

Chapter 6 part 2

Chapter 6 part 3

Chapter 8 part 1

Chapter 8 part 2

Chapter 8 part 3

Chapter 10 part 1

Chapter 10 part 2

Chapter 10 part 3

Chapter 11

 

 

ORAL PRESENTATIONS

 

Electronic Absorption and CD Spectroscopy of Chlorophyll Dimers  by Sreeja Parameswaran

 

Proton NMR Spectroscopy of Amino Acids and Proteins  by Yiying Zhou


Supplementary Textbooks: (In order of preference)

1        Physical Chemistry

Atkins, P. and de Paula, J. (editions 6, 7 or 8) (Freeman)

2        Introduction to Molecular Symmetry (Oxford Chemistry Primers 97)

Ogden, J. S. (Oxford)

3        Molecular Symmetry and Group Theory

Carter, R. (Wiley) 

4        Biophysical Chemistry, Part II

Cantor and Schimmel (Freeman)

5        Molecular Physics

Theoretical Principles and Experimental Methods

Demtroder, W. (Wiley)

 

Course Outline

Introductory Course in quantum chemistry and elements of molecular spectroscopy serving the needs of physics, chemistry and biochemistry students.  Basic quantum mechanics is assumed and applied to molecular systems.  The emphasis is on relating quantum theory to spectroscopic measurement. In this respect group theoretical approaches are introduced.  We shall study vibrational and rotational spectroscopies with special emphasis on IR and Raman spectroscopic measurement.  We will study aspects of magnetic and electronic spectroscopies.  The latter part of the course will deal with a variety of topics of current experimental or theoretical interest, taken from the scientific literature or other textbook sources. Students will select and study topics which match their interests, and give a critical oral presentation of the subject. Possible subjects of study are listed below. ANY subject of interest to the student, that is connected to macromolecular spectroscopy or theoretical molecular physics, can be developed with the consent of the instructor.


Grading:     Homework                               30 %
                   Presentation                             30 %

                   Presentation Attendance          3 %

                   Presentation Reporting            3 %

                   Midterm Exam                         17 %

                   Final Exam                              17 %

 

The topics chosen for presentation are not expected to be a direct regurgitation of the students current research.
Literature Topics

Choose from the list or come up with your own topic.   Discuss the details with the instructor

Spectroscopies and Theories
Magnetic Spectroscopies
Time-resolved or CW-EPR/ENDOR
Absorbance Detected Magnetic Resonance
Florescence Detected Magnetic Resonance
NMR
Electronic Absorption Spectroscopy
Time-resolved or CW
Linear Dichroism     
CD Spectroscopy

Optical Activity

Fluorescence Spectroscopy
Time Resolved and CW
Fluorescence Microscopy
Fluorescence polarization/anisotropy
Raman Spectroscopy
Resonance Raman Spectroscopy
Optical Activity and depolarization
FT-Raman

CARS
Raman Microscopy
SERS

Near, Mid and Far Infrared Spectroscopy
FTIR Spectroscopy, Time Resolved and CW
FTIR Reflectance and
ATR Methods
FTIR Microscopy
FTIR crystallography


Neutron scattering
Stark Spectroscopy
Photoelectron Spectroscopy

Electron Transfer Theory
Quantum Chemical Computations
Energy Transfer
Aggregated Chromophores



Any topic related to molecular spectroscopic applications (in biology, chemistry, physics, medicine or technology), that is of interest may be chosen after discussion with instructor.

Chapter/Sections Covered in Atkins and Friedman

Chapter 1: Foundations of quantum mechanics.   (Assumed knowledge.  Homework)

Chapter 2: Linear Motion and the harmonic oscillator.  (Assumed knowledge)

                  FEMO model will be introduced, however.

                  Penetration Depth, Tunnelling and Scattering will not be covered but could be

                  developed by a student for presentation

Chapter 3:  Rotational Motion and the hydrogen atom.  (Assumed knowledge). 

                  Particle on a ring and sphere, and motion in a coulomb potential will be

                  quickly reviewed and applications to the FEMO model will be developed.

Chapter 4:  Angular Momentum.  (Assumed knowledge).

Homework will be set covering the above four chapters so that you can re-familiarize yourself

with the material in these chapters.

Chapter 5:  Group Theory.  Chapter will be covered in great detail.

Chapter 6:  Approximation Techniques. (Assumed knowledge). 

                   Variation Theory, Time Dependant perturbation, Fermis Golden Rule and the

                   Einstein coefficients will be quickly reviewed.

Chapter 7:  Atomic spectra and atomic structure (Assumed Knowledge)

Chapter 8:  Introduction to Molecular Structure (chapter will be covered in detail)

                   Band theory of solids will not be covered but could be developed by a student

Chapter 9:  Will not be covered but could be developed by a student

Chapter 10:  Molecular Rotations and Vibrations: Will be Covered in great detail.

Additional material on aspects of microwave and infrared absorption spectroscopy will be included.  Material on Raman and FTIR instrumentation will also be included.

Chapter 11:  Molecular Electronic Transitions. Will Cover in detail

Chapter 12:  Electric Properties of Molecules. 

Will not cover in detail but could be developed by a student

Chapter 13:  Magnetic Properties of Molecules.  Will not cover. Could be developed by a student