MOLECULAR SYMMETRY AND SPECTROSCOPY - SSC2433

 

"Science may set limits to knowledge, but should not set limits to imagination"

Bertrand Russell (1872 - 1970)


SEMESTER I 2010/2011

Lecturer: Assoc. Prof. Dr. Hadi Nur

Contact Hour: 3 hours per week
Monday : 11.00-11.50 (C18 215)
Tuesday : 8.00-8.50 (C18 215)

Wednesday : 11.00-11.50 (C18 215)

SYNOPSIS

The emphasis of this course is to expose the students to the fundamental principles of molecular spectroscopy focusing on molecular energy levels and their interaction with electromagnetic radiation, spectral outputs and their interpretation in relation to molecular structure. The branches of spectroscopy covered include rotational spectroscopy, vibrational spectroscopy (IR and Raman), electronic spectroscopy (absorption and emission) and spin resonance spectroscopy (NMR and ESR). The general spectrometer components and the requirements for high resolution spectrum of FTIR and FT NMR will be discussed to represent the practical aspects of this subject.

 

LEARNING OUTCOME

  • The emphasis of this course is to expose the students to the fundamental principles of molecular spectroscopy focusing on molecular energy levels and their interaction with electromagnetic radiation

REFERENCES

  • Foundation of Spectroscopy. Simon Duckett & Bruce Gilbert. Oxford University Press. 2005.
  • Elements of Molecular Specroscopy. P. S. Sindhu. New Age Science. 2009.
  • Basic Atomic and Molecular Spectroscopy. J. M. Hollas. Wiley-RSC. 2002.
  • Introduction to Spectroscopy 3rd Edition. Donald L. Pavia, Gary M. Lampman, George. S Kritz. Brooks Cole. 2000.
  • Physical Chemistry 6th Edition. P. W. Atkins. Oxford University Press. 2000.
  • Molecular Spectroscopy. Jeanne L. McHale. Prentice Hall. 1998.
  • Fundamentals of Molecular Spectroscopy. C. N. Banwell and E. M. McCash. McGraw Hill. 1994.
  • Modern NMR Spectroscopy. Jeremy K. M. Sanders. Oxford University Press. 2005.
  • Nuclear Magnetic Resonance Spectroscopy. An Introduction to Principles, Application and Experimental Methods. Joseph B. Lambert, Eugene P. Mazzola. Pearson Education Inc. 2004.

TEACHING METHODS

    Lecture & discussion, independent work, and group work.

EVALUATION

 

 

Marks (%)

Frequency

Total (%)

Assignments

20

2

20

Quizzes

10

4

10

Test

30

2

30

Final examination

40

1

40

Total

 

 

100


LECTURE SCHEDULE

  • Lecture notes (in pdf format) can be downloaded in contents area (the password will be given in class room). Please don't anticipate that these notes will be posted before class. Keep in mind that it is your responsibility to take notes in class.

Week

 

Content

Remarks

1

120710 180710

Symmetry and Point Group:

http://www.reciprocalnet.org/edumodules/symmetry/

http://en.wikipedia.org/wiki/Molecular_symmetry

Application of symmetry (1.69 MB)

 

2

190710 250710

Fundamental concept of spectroscopy: Definitions, electromagnetic spectrum and its energy, interaction of energy-matter, resonance condition, activity condition and spectroscopy classification. Spectrum, region of spectrum, displaying spectrum, intensity, energy, frequency, wavenumber and wavelength, factors affecting the broadening of spectral line.

Introduction to spectroscopy#1 (7.83 MB)

Introduction to spectroscopy#2 (1.03 MB)

 

3

260710 010810

Rotational spectroscopy:  rotor and their symmetry, moment inertia, isotope effect, centrifugal distortion, selection rule, analysis of spectral data and calculation of bond length for diatomic molecule.

Rotational spectroscopy (625 KB)

http://rkt.chem.ox.ac.uk/tutorials/rotation/rot_spectra.html

 

4

020810 080810

Vibrational spectroscopy: harmonic and unharmonic vibration, vibration of diatomic molecule, energy levels, selection rule and types of transition.

 

5

090810 150810

Effect of rotation on energy levels and spectrum, PR branch, spectrum of HX gas, spectral data analysis to obtain molecular parameter.

 

6

160810 220810

Vibration of polyatomic molecule, normal modes of vibration of small polyatomic molecules and activity, spectrum of H2O and CO2; functional group frequency concept and its application in molecular structure analysis.

 

7

230810 290810

Raman spectroscopy: Rayleigh and Raman scattering, selection rule, Stokes and anti-Stokes lines, rule of mutual exclusion for molecules with center of symmetry.

110810 - Ramadhan start

8

300810 050910

Combination of infrared and Raman spectroscopy in vibrational mode assignment and structural analysis of molecule.

Test 1 (Questions and answers)

9

060910 120910

Midterm break

(100910 110910 Hari Raya Aidilfitri)

(160910 Hari Malaysia)

10

130910 190910

11

200910 260910

Electronic spectroscopy of molecules: molecular electronic energy level, selection rule, type of transition, Born-Oppenheimer approximation, Franck-Condon Principle, coarse structure of spectrum and Birge-Sponer analysis.

 

12

270910 031010

Relaxation and the fate of energy in the exited molecules, fluorescence, phosphorescence, Jablonski diagram and laser.

 

13

041010 101010

Nuclear magnetic resonance spectroscopy: nuclear spin and its interaction with magnetic field, magnetization, excitation by radiofrequency pulse, spin relaxation, free induction decay NMR signal, Fourier transformation and NMR spectrum.

 

14

111010 171010

Parameter of NMR spectrum, line intensity, chemical shift, and line splitting, chemical and magnetic equivalence of spins and first order spectrum of AX and AMX system.

 

15

181010 241010

Electron spin resonance spectroscopy: energy levels, interaction, g-values and hyperfine coupling, example of spectrum for small and medium size radical.

 

16

251010 311010

FTIR and FTNMR spectrometer, the advantages of FT technique with specific reference to 13NMR and 2D NMR spectroscopy.

 

17

011110 071110

Study week.

 

18

081110 141110

Final Examination.

 

ATTENDANCE

  • Students have to abide the rules and regulations stated in the "Buku Panduan Pelajar" UTM.
  • Students have to sign in the attendance at every lecture. Attendance is compulsory. you are barred to sit for the final exam if the total attendance is less than 80% or 3X consecutively absence without any valid reasons.
  • Students who are unable to attend the lecture due sickness have to show medical certificate (MC) from UTM doctors or any letter from the authorize personal from faculty or the lecturer.
  • Lecturer has the right to barred the students from attending the lecture if found behaving indecently.


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