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Molecular Physics II

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Prof. Dr. S. Schlemmer

General Information
Lecture Prof. Dr. S. Schlemmer
Exercise Monika Koerber
Period 02.04.2012 - 10.07.2012
Lectures
Mon 10-13:30h Seminarraum I. Physik
Tue   12:15-13:00h Seminarraum I. Physik
Exercises Tue 13:00-13:45h Seminarraum I. Physik
   
Content: Main Lecture
Date Topic Exercise
02.04.2012 Introduction: IR-spectroscopy  
03.04.2012 Polyatomic Molecules / Classical description / Normal Mode Coordinates  
10.04.2012 Polyatomic Molecules /Classical description / Normal Mode CoordinatesQuantum Mechanics description / Internal Coordinates / Symmetry coordinates  
16.04.2012 Polyatomic Molecules /Quantum Mechanics description / Internal Coordinates /  
17.04.2012 Polyatomic Molecules / Internal Coordinates Exercise 1
23.04.2012 Polyatomic Molecules / Molecular Symmetry and the five Postulats of QM  
24.04.2012 Exercise on coupled 1-dim oscillators (characteristic frequencies and normal coordinates) Exercise 2
30.04.2012 Molecular Symmetry and the rotational levels of H2  
07.05.2012 Molecules and Symmetries / Symmetry Operations / Group Properties
(symmetry groups and multiplication table)		  
08.05.2012 Exercise on Symmetry Operations (symmetry groups and multiplication table)  
14.05.2012 Matrix representations of point groups. Characters: traces of matrices. Full representation (practical approach)  
15.05.2012 Reducible, irreducible representations and Great Orthognonality Theorem Exercise 3
21.05.2012 Character Tables, full representation, direct product representation  
22.05.2012 Exercise on matrix representation of NH3 (reducible/irreducible representation)  
04.06.2012 Selection rules for dipole allowed transitions  
05.06.2012 Selection rules and the use of projection operators  
11.06.2012 Classification of vibrational motions: Representations of Ground state (totally symmetric) and first excited state (rho's representation)  
12.06.2012 Examination of examples for IR active vibrational bands. Spectrum of CH2D+ (C2v) from our laboratory: High-resolution ro-vibrational spectrum Exercise 4
18.06.2012 Analysis of ro-vibrational spectra: Example spectra (CH2D+), experimental stickspectrum (ovr-file), simulation (pgo parent file) Exercise 5
19.06.2012 Analysis of ro-vibrational spectra  
25.06.2012 Dipole Selection Rules (Change of Dipole Moment along normal coordinate) and selection rules for Raman Spectra, Raman Spectra of N2, O2 (experimental details)  
26.06.2012 Approximate Methods: Anharmonicities, Tunneling and Couplings (variational method)  
02.07.2012 Tunneling, Non-rigid Molecules (NH3 with tunneling (D3h(M)) and without tunneling(C3v(M)))  
03.07.2012 Non-rigid Molecules (continued), Molecular Symmetry Group, isomers, conformers, versions of a molecule, enantiomers, views of a molecular version, Correlation of symmetry species and statistical weights  
09.07.2012 NH3 vibrational spectrum (experimental spectrum (dpt-file), simulation (pgo parent file)), NH3 including tunneling (pgo parent file))
NH3 entry in JPL catalogue, Ammonia in laboratory and space		 Exercise 6
10.07.2012 Nuclear Spin and Symmetry Selection Rules in Chemical Reactions Exercise 7

Master: The module is passed by passing an oral examination covering the topics of all attended courses. To be admitted to the exam, students must actively participate in the exercises (including the solution of homework problems) and present a scientific talk in the seminar course. The grade given for the module is equal to the grade of the oral examination.
 

Exercises
Rules a regular and active participation in the exercises is recommended
Problem sheets

as download on the webside, for some exercises we use the computer program pgopher
(by Colin Western)
Submission of solutions following Monday in the lecture
Discussion of solutions following Tuesday in the exercise
   
References (Molecular Phyics I and II)
  1. Throughout the lecture and excercises the free of charge spectra simulation program PGOPHER will be used.
  2. Spectra of Atoms and Molecules, Peter F. Bernath,
    Oxford university Press, Oxford 1995, ISBN 0-19-507598-6
  3. Molecular Vibrations, E.B. Wilson, J.C. Decius, P.C.Cross, Dover New York, 1955
  4. Fundamentals of Molecular Symmetry, Philip Bunker and Per Jensen, Institute of Physics, Bristol and Philadelphia, 2005
  5. Molecular Symmetry and Spectroscopy, 2nd ed.,  Philip Bunker and Per Jensen, NRC Research Press, Ottawa, 1998
  6. Group Theory and Chemistry, David M. Bishop, Dover, New York 1973
  7. Aufbau der Moleküle, F. Engelke
    Teubner, Stuttgart 1985, ISBN 3-519-03056-X
  8. Atoms, Molecules and Photons, W. Demtröder, Springer, ISBN 10-3-540-20631-6
    also in German: Experimentalphysik 3, Springer Lehrbuch, ISBN 3-540-57096-9
  9. Molekülphysik und Quantenchemie, Haken, Wolf
    Springer-Lehrbuch, Berlin 1994, ISBN 3-540-57460-3
  10. Microwave Spectroscopy, C.H. Townes, A.L. Schawlow
    Dover Publications, Inc., New York, ISBN 0-486-61798-X
  11. Microwave Molecular Spectra, W. Gordy, R.L. Cook
    John Wiley & Sons, New York, ISBN 0-471-08681-9
  12. G. Herzberg in 3 volumes
  • Band I, Spectra of diatomic molecules
  • Band II, Infrared and raman spectra of polyatomic molecules
  • Band III, Electronic spectra and electronic structure of polyatomic molecules
    Krieger Publishing Company, Malabar, Florida, ISBN 0-89464-270-7
Additional Weblinks
Fachgruppe Physik www.physik.uni-koeln.de
Fachschaft Physik http://www.uni-koeln.de/studenten/fs-physik/
Deutsche Physikalische Gesellschaft www.dpg-physik.de
Physik.de www.physik.de