CHEMICAL SPECTROSCOPY

Paper Code: 
CHY 502
Credits: 
3
Contact Hours: 
45.00
Max. Marks: 
100.00
Objective: 

Course Objectives:

This course will enable the students to –

  • provide the knowledge about various processes involved during interaction of radiation with matter.
  • aware with the principles and applications of rotational, vibrational, Raman, electronic and NMR spectroscopy techniques. 

 

Course Outcomes (COs):

Course Outcomes

 

Teaching, Learning Strategies

Assessment Strategies

 
 

On completion of this course, the students will be able to –

CO70: discuss qualitative and quantitative knowledge of the fundamental concepts of spectroscopy.

CO71: describe principle, selection rules and applications of rotational, vibrational, Raman, electronic and NMR spectroscopy.

CO72: apply spectroscopic data for molecular characterization.

CO73: evaluate the various deactivation processes of molecular excited states.

 

  • Interactive Lectures,
  • Explicit Teaching
  • Discussion
  • Tutorials
  • Multimedia Presentations
  • Demonstration
  • Self learning Assignments
  • Peer Assessment
  • Power Point Presentation, Handouts
  • Closed book and open book tests
  • Quiz
  • Problem solving exercises
  • Presentation

 

 
 

 

9.00
Unit I: 
Rotational Spectroscopy

Electromagnetic radiation, quantization of energy, regions of electromagnetic spectrum, Born –Oppenheimer approximation.

Diatomic molecule, energy levels of a rigid rotor (semi-classical principles), selection rules, spectral intensity, distribution using population distribution (Maxwell-Boltzmann distribution), determination of bond length, qualitative description of non-rigid rotor, isotope effect.

9.00
Unit II: 
Vibrational Spectroscopy

Different regions of IR spectrum (finger print and functional group region), Hooke’s law, energy levels of simple harmonic oscillator, selection rules, pure vibrational spectrum, intensity, determination of force constant, qualitative relation of force constant and bond energies, effect of anharmonic motion and isotope on the spectrum, rotational- vibrational spectrum.
Idea of vibrational frequencies of different functional groups, molecular vibrations, characteristic intensity and position of IR bands of various functional groups (alkanes, alkenes, alkyl halides, alcohols, ethers, carbonyl compounds, primary and secondary amines, carboxylic acids and its derivatives); effect of solvent and hydrogen bonding.

 

9.00
Unit III: 
Raman Spectroscopy

Raman effect, Classical and quantum theory of Raman effect, Concept of polarizability, pure rotational Raman and pure vibrational Raman spectra of diatomic molecules, rotational vibrational Raman spectroscopy, selection rules, mutual exclusion principle, applications of Raman spectroscopy.

 

9.00
Unit IV: 
Electronic Spectroscopy

Concept of potential energy curves for bonding and antibonding molecular orbitals, Franck–Condon principle, different electronic transitions and selection rules, Lambert – Beer law, molar absorptivity, effect of solvent on transitions, effect of conjugation, concept of chromophores and auxochromes, bathochromic, hypsochromic, hyperchromic and hypochromic shift. Woodward Fieser rules and its applications on enes, dienes, α,β-unsaturated carbonyls and extended conjugations.
Jablonski diagram depicting various processes occurring in the excited state, qualitative description of fluorescence, phosphorescence, non-radiative processes (internal conversion, intersystem crossing).

 

9.00
Unit V: 
Nuclear Magnetic Resonance Spectroscopy

Introduction, principle of nuclear magnetic resonance, nuclear shielding and deshielding, energies of nuclei in magnetic fields, chemical shift, spin-spin coupling and coupling constant, proton spectra of simple compounds like ethanol, ethyl acetate, 1,2-dibromoethane.

 

Essential Readings: 
  • Spectroscopy of Organic Compounds, Sixth Edition; P.S. Kalsi; New Age International (P) Ltd Publishers, New Delhi, 2016.
  • Fundamentals of Molecular Spectroscopy, Fourth Edition; C. N. Banwell and E. M. Mc Cash; Tata McGraw Hill, New Delhi, 2017.

 

References: 

SUGGESTED READINGS:

  • Introduction to Spectrosopy, Fifth Edition, D. L. Pavia, G. M. Lampman, G. S. Kriz, J. R. Vyvyan; Cengage Learning, USA, 2015.
  • Spectroscopy; H.Kaur; Pragati Prakashan, 2017.
  • Atomic and Molecular Spectroscopy, First Edition; S.K. Dogra and H.S. Randhawa; Pearson Education, 2015.
  • Molecular Structure and Spectroscopy, Second Edition; G. Aruldhas; PHI Learning Private Limited,2015.
  • A Textbook of Physical Chemistry, Quantum Chemistry and Molecular Spectroscopy, Vol. IV, Sixth Edition; K. L. Kapoor; McGraw Hill Education Private Limited, 2020.

 

e-RESOURCES:

 

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