Course Outline CHM580

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Lecturer: Puan Nursyamsyila Mat Hadzir (STAR Complex; Room: F007)

Syllabus Content CHM 580 (Group AS225 and AS202)
1.0 An Introduction to Spectrometric Methods
1.1 General Properties of Electromagnetic Radiation
1.1.1 Wave and Quantum-Mechanical Properties of Electromagnetic Radiation
1.1.2 The Electromagnetic Spectrum
1.1.3 Energy States of Chemical Species
1.1.4 Interaction of Radiation and Matter; absorption, emission, luminescence and
scattering
1.2 Quantitative Aspects of Spectrochemical Measurements
1.2.1 Transmittance
1.2.2 Absorbance
1.2.3 Beers Law

2.0 Components of Optical Instruments
2.1 General Designs of Optical Instruments.
2.2 Sources of Radiation; Continuous, Line and Laser sources
2.3 Wavelengths Selectors; grating monochromators
2.4 Sample Containers
2.5 Radiation Transducers
2.5.1 Properties of Ideal transducer
2.5.2 Types of Transducers
2.5.2.1 Photon Transducers; Phototubes, Photomultiplier Tubes, Silicon
Photodiodes and Photodiode Arrays
2.5.2.2 Thermal Transducers; Thermocouples, Bolometers and Pyroelectric
Transducers
2.6 Signal Processors and Readouts

3.0 Atomic Absorption (AA) Spectroscopy
3.1 Fundamental Principles
3.1.1 Energy Level diagrams
3.1.2 Atomic Emission Spectra
3.1.3 Atomic Absorption Spectra
3.1.4 Atomic Line Widths
3.1.4.1 Doppler Broadening
3.1.4.2 Pressure Broadening
3.1.4.3 The Effect of Temperature on Atomic Spectra
3.2 Sample Atomization techniques
3.2.1 Flame Atomization
3.2.1.1 Types of Flame
3.2.1.2 Flame Structure
3.2.1.3 Flame Atomizers
3.2.1.4 Performance Characteristics of Flame Atomizers

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3.2.2. Electrothermal Atomization
3.2.2.1 Electrothermal Atomizers
3.2.2.2 Output Signals
3.2.2.3 Performance Characteristics of Electrothermal Atomizers
3.2.2.4 Analysis of Solids
3.3 Atomic Absorption (AA) Spectroscopy
3.3.1 Sample Introduction Methods
3.3.2 Introduction of Solution Samples
3.2.1.1 Nebulization
3.2.1.3 Electrothermal Vaporizer
3.3.3 Introduction of Solid Samples; Direct-sample Insertion, Electrothermal
Vaporizer, Laser ablation
3.3.3.1 Electrothermal Vaporizer
3.3.4 Radiation Sources
3.3.4.1 Hollow Cathode Lamps
3.3.4.2 Electrodeless Discharge Lamps
3.3.5 Source Modulation
3.4 Interferences
3.4.1 Spectral Interferences
3.4.2 Chemical Interferences
3.4.2.1 Formation of Low Volatility Compounds
3.4.2.2 Dissociation Equilibria
3.4.2.3 Ionization Equilibria
3.5 Sample Preparation.
3.6 Quantitative Analysis; Standard Calibration Curve and Standard Addition Method.
3.7 Application of AAS, Detection Limits and Accuracy

4.0 Atomic Emission (AE) Spectrometry
4.1 Fundamental Principles
4.2 AES based on Inductively Coupled Plasma (ICP) Source
4.3 Application of ICP-OES; Sample Preparation, Elements Determined, Line Selection,
Calibration Curves, Interferences and Detection limits.

5.0 Ultraviolet/Visible Molecular Absorption Spectrometry
5.1 Measurement of Transmittance and Absorbance
5.2 Beers Law
5.3 Limitations to Beers Law; Real, Chemical and Instrumental Deviations.
5.4 Instrumentation
6.4.1 Radiation Sources; Deuterium and Hydrogen Lamps, Tungsten Halogen Lamps
6.4.2 Sample Containers
6.4.3 Types of Instrument; Single-Beam and Double-Beam Instruments
5.5 Absorbing species; Organic Compounds, Inorganic Species and Charge Transfer
Complexes.
5.6 Quantitative Applications

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6.0 Molecular Fluorescence Spectrometry
6.1 Theory of Fluorescence
6.1.1 Excited States Producing Fluorescence
6.1.2 Electron Spin
6.1.3 Singlet and Triplet Excited States
6.2 Energy-level diagrams
6.3 Variables affecting fluorescence
6.3.1 Quantum yield
6.3.2 Transition types in fluorescence
6.3.3 Fluorescence and structure
6.3.4 Effect of structural rigidity
6.3.5 Temperature effects
6.3.6 Effect of concentration on fluorescence Intensity
6.4 Components of spectrofluorometers; radiation sources, monochromators, transducers,
cell and cell compartment
6.5 Applications of fluorescence spectrometry

7.0 Infrared Spectrometry
7.1 Theory of IR absorption
7.2 IR Instrumentation; dispersive and FTIR
7.3 Application: Mid-IR absorption spectrometry
7.4 Sample handling
7.5 Correlation charts and tables
7.6 Interpretation of IR spectra of simple organic compounds (alkanes, alkenes,
alkynes, alcohols, aldehydes, ketones, carboxylic acids, esters, ethers, aromatic
hydrocarbons, amines and amides).

8.0 Raman spectroscopy
8.1 Theory of Raman spectroscopy
8.2 Energy-level diagrams
8.3 Instrumentation
8.4 Applications

9.0 Nuclear Magnetic Resonance (NMR) Spectroscopy
9.1 Theory of NMR
9.1.1 Quantum Description of NMR
9.1.2 Energy Levels in a Magnetic Field
9.1.3 Precession of Nuclei in a Field
9.2 Instrumentation; Continuous Wave and FT NMR
9.2.1 Components of FT NMR spectrometers
9.2.1.1 Magnets: locking the Magnetic Field, Shimming, Sample Spinning
9.2.1.2 The sample probe
9.2.1.3 Detector and Data-processing System
9.2.2 Sample Handling
9.3 Chemical Shift and its Measurement
9.4 Factors influencing Chemical Shift
9.5 Proton NMR Spectroscopy
9.5.1 Solvents Used in NMR
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9.5.2 Integrals in Proton NMR Spectra
9.5.3 Spin-Spin Coupling/Spin-Spin Splitting
9.5.4 n+1 Rule
9.5.5 Correlation Charts and Tables for Proton NMR
9.5.6 Interpretation of Proton NMR Spectra of Simple Organic
Compounds
9.6 Carbon-13 NMR Spectroscopy
9.6.1 Natural Abundance C-13 NMR Spectra
9.6.2 Proton Decoupling
9.6.3 Structural Applications of C-13 NMR
9.6.4 Correlation Data and Tables for C-13 NMR Spectra
9.6.5 Interpretation of C-13 NMR spectra
9.7 Structure Elucidation of Simple Organic Compounds from IR and NMR spectra

10.0 Molecular Mass Spectroscopy
10.1 Basic Principles
10.2 Instrumentation
10.2.1 Types of Ionization Sources; Gas phase (CI, EI and FI) and Desorption (ESI and
FAB)
10.2.2 Types of Mass Analyzers; Magnetic Sector, Double-Focusing, Quadrupole, Time-
of-Flight
10.3 Mass Spectra
10.3.1 Isotope Abundances
10.3.2 The Molecular Ion and Base Peak
10.3.3 Fragment ions
10.4 Applications of Molecular Mass Spectrometry;
10.4.1 Structural Analysis and Fragmentation Patterns: alkanes, alkenes, alkynes,
ketones, alkyl chlorides and alkyl bromides
10.4.2 Molecular Mass Determination
Practicals:
1 UV-Vis spectrometer; quantitative analysis
2 Spectrofluorometer; quantitative analysis
3 FTIR; qualitative analysis
4 AAS; wet digestion, quantitative analysis
5 AAS; microwave digestion, quantitative analysis
6 Demonstration; NMR/ICP-OES

Teaching Methodology:
i. Active engagement via lecture-discussion
ii. Scientific investigation via laboratories experiences

5

Assessment:
Course Work:

Tests 30%
Quizzes 10%
Practical Skills 10 %
Lab reports 10%

60%

Final exam : 40%

Recommended Text
Skoog, D.A., Holler, F.J. and S.R. Crouch. 6
th
Edition. 2007. Principles of Instrumental Analysis.
Thomson Brooks/Cole 2007.

Pavia, D.L., Lampman, G.M., Kriz, G.S.and J.R. Vyvyan 4th Ed, 2009 Introduction toSpectroscopy, A
guide for Students of Organic Chemistry, Brooks/Cole

References
Skoog, D.A., West, D.M., Holler, F.J. and S.R. Crouch , 8
th
edition, 2004 Fundamentals of
Analytical Chemistry, Thomson, Brooks/Cole
Zumdahl, Chemistry, (6
th
Ed.) Houghton Mifflin Company, 2003.
Whitten, Davis, Peck & Stanley, General Chemistry, (7
th
Ed.), Thomson Learning, 2004
Pavia, D.L., Lampman, G.M., Kriz, G.S.and J.R. Vyvyan 4th Ed, 2009 Introduction to Spectroscopy, A
guide for Students of Organic Chemistry, Brooks/Cole
Hikolai V. Tkachenko. Optical Spectroscopy: Methods and Instrumentation. Elsevier, The Netherlands,
2006.
Yong Cheng Ning and Richard R. Ernst. Structural Identification of Organic Compounds with
Spectroscopic Techniques. Wiley-VCH Weinheim 2005.

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Lecturer: Puan Nursyamsyila Mat Hadzir (STAR Complex; Room: F007)

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