What is the course about?

Qualitative and quantitative analysis of raw materials, intermediate and final products of synthesis is not only subject of organic chemistry and related areas (petrochemistry, pharmaceutical chemistry, electronic industry, etc.). Qualitative and quantitative control of mixtures and composites is also important for food and perfumery industry, customs and environmental control, criminalistics and so on. Infrared spectroscopy is a well-developed, economically efficient and easy to use techniques. An infrared spectrum represents a fingerprint of a sample with absorption peaks which correspond to the frequencies of vibrations between the bonds of the atoms making up the material. Because each different material is a unique combination of atoms, no two compounds produce the exact same infrared spectrum. Therefore, infrared spectroscopy can result in a positive identification (qualitative analysis) of every different kind of material. In addition, the size of the peaks in the spectrum is a direct indication of the amount of material present.

Who is this course for?

HE level of education, area of professional activity - chemical analytical laboratories of enterprises and organizations of various kinds of activity.

What do I need to know?

The presented course aims developing knowledge and skills in data analysis starting from the basic level, therefore there are no requirements for the initial competences. Background in organic chemistry is assumed and will facilitate better understanding and mastering the practical exercises.

What will you have learnt?

After taking the course, students will obtain theoretical and practical knowledge in basic and more advanced IR spectroscopic analysis. They will be able to implement IR spectroscopic studies for identification of organic compounds and phase analysis of mixtures.

Course Structure

Theoretical part.

Section 1. Introduction. Historical background. Types and possibilities of application of spectral analysis methods. Features of IR spectroscopy. The history of the emergence and development of IR spectroscopy. Fields of application of IR spectroscopy.

Section 2. Theoretical background. Concept of wave electron dualism. Nature of chemical bonds in organic compounds. Characteristics of covalent bonds: bond length, bond energy. Concept of electron pairing.

Section 3. Theory of emergence and registration of IR spectra. Physical characteristics of electromagnetic waves: wavelength, frequency, vibration energy. Harmonic quantum oscillator. Normal vibrations. Number and types of normal vibrations in the molecule. Intensity of oscillation. Selection rules.

Section 4. Characteristic vibrations of hydrocarbons. Position and intensity of characteristic vibrations of alkanes, alkenes, alkynes, and arynes. Areas of characteristic vibrations and fingerprints.

Section 5. Characteristic vibrations of oxygen-containing organic compounds. Position and intensity of the characteristic vibrations of alcohols, ethers and esters, aldehydes, ketones, and carboxylic acids.

Section 6. Characteristic vibrations of nitrogen-containing organic compounds. Position and intensity of characteristic vibrations of amines, amides, nitriles, nitro compounds.

Section 7. Integrated approach in decoding the IR spectra of compounds. Logical schemes for decoding the IR spectrum of an unknown compound. Comprehensive approaches using the results of other methods of analysis.

Section 8. Features of FT IR spectroscopy. Theoretical basis of the method. Concept of expansion of electromagnetic waves in Fourier series. Advantages and disadvantages of FT IR spectroscopy. Fields of application of FT IR spectroscopy.

Practical part.

Section 2. Description of chemical bonds in organic compounds of various classes. Types of hybridization of carbon atoms. Singular, double, and triple bonds.

Section 3. Units of physical characteristics of electromagnetic radiation. Determination of number of normal vibrations and types of vibrations for various molecules. Determination of parameters of the shift of absorption bands at isotope and atom substitution.

Section 4. Determination of characteristic vibrations in IR spectra of hydrocarbons of various classes. Assignment of the proposed compounds to a specific class of hydrocarbon based on the analysis of their IR absorption spectra.

Section 5. Determination of characteristic vibrations in the IR spectra of oxygen-containing organic compounds. Assignment of the proposed compound to a specific class based on the analysis of its IR absorption spectrum.

Section 6. Determination of characteristic vibrations in the IR spectra of nitrogen-containing organic compounds. Assignment of the proposed compound to a specific class based on the analysis of its IR absorption spectrum.

Section 7. Integrated approach to the analysis of the IR spectrum of an unknown substance.

The team and organisation standing behind the course

Prof Olga Kovalchukova - Professor at the Department of General Chemistry, Peoples' Friendship University of Russia (RUDN University). Supervisor of 15 PhD researches. Author of more than 100 scientific publications. Area of interest - coordination chemistry of metal cations with organic ligands: synthesis, crystal structure, spectral characteristics, theoretical modeling.

Additional literature for self-study

1. Online edition for students of organic chemistry lab courses at the University of Colorado, Boulder, Dept of Chem and Biochem. depts.washington.edu/chemcrs/bulkdisk/chem455A_aut10/

2. Handbook of Instrumental Techniques for Analytical Chemistry. www.prenhall.com/settle/chapters/ch15.pdf

3. Mount Holyoke College, South Hadley, Massachusetts. Forensic applications of IR. http://www.mtholyoke.edu

Course instructors