"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 : 11.0011.50 (C18 215) Tuesday : 8.008.50 (C18 215)
Wednesday : 11.0011.50 (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. WileyRSC. 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


Symmetry and Point Group:
http://www.reciprocalnet.org/edumodules/symmetry/
http://en.wikipedia.org/wiki/Molecular_symmetry
Application of symmetry (1.69 MB)


2


Fundamental concept of spectroscopy: Definitions, electromagnetic spectrum and its energy, interaction of energymatter, 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


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


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 antiStokes 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, BornOppenheimer
approximation, FranckCondon Principle, coarse structure of spectrum and
BirgeSponer 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, gvalues 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 ^{13}NMR 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.

