SPECTROSCOPY I

Paper Code: 
D-CHY 801
Credits: 
4
Contact Hours: 
60.00
Max. Marks: 
100.00
Objective: 

Course Objective(s):

This course will enable the students to –

get acquainted with the concepts of various spectroscopic techniques for the structural elucidation of inorganic molecules and complexes.

Course Outcomes (COs):

Course Outcomes

Teaching Learning Strategies

Assessment Strategies

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

CO97: determine the structures of simple inorganic molecules using the concepts of IR , Raman spectroscopy and NQR spectroscopy and apply the knowledge of group theory in differentiating between geometrical as well as linkage isomers

CO98: interpret the photoelectron spectra of various atoms and molecules

CO99: calculate number of microstates and determine different spectroscopic states and construct Orgel, Tanabe-Sugano and Correlation diagrams of complexes

CO100: discuss ESR spectroscopy and its applications in transition metal complexes including biological systems

CO101: apply the knowledge of Mossbauer spectroscopy in structural determination of iron and tin compounds

  • Interactive lectures
  • Tutorials
  • Group discussions
  • Use of models
  • Digital learning
  • Problem solving sessions
  • Assertion and Reasoning

 

  • Oral and written examinations
  • Assignments
  • Quiz

 

 

 

16.00
Unit I: 
IR, Raman and NQR Spectroscopy

IR and Raman Spectroscopy: some important aspects of IR and raman spectra, classification of normal modes of molecular vibrations and IR and raman active modes in some simple molecules, characteristic group vibrations, electronic and coupling effect on group vibration frequency, applications of IR and Raman spectra - determination of structure of some simple molecules (CO2,SO2,N2O), determination of structure of H2O and NH3 through the normal modes of analysis, effect of coordination of ligands on vibrational spectra, determination of geometrical isomers of coordination compounds, identification of linkage isomers.
Nuclear Quadrupole Resonance Spectroscopy: introduction, basic principles of NQR spectroscopy, NQR transition energies for the axially and non-axially symmetric systems, effect of a magnetic field (Zeeman effect) on NQR transitions, conditions to observe the NQR signals (in brief), applications- interpretation of eQq data, effect of crystal lattice on the magnitude of eQq, structural information from NQR spectra.

15.00
Unit II: 
Electronic Spectroscopy

Coupling schemes (orbit-orbit, spin-spin and spin orbit coupling, determination of ground state, spectroscopic ground states, selection rules for electronic transitions, splitting of dn terms in octahedral and tetrahedral field, correlation diagrams, Orgel and Tanabe-Sugano diagrams (d1-d9 states), spin cross-over, field strength, nephelauxetic series, calculations of Racah parameters (B and C), applications of Tanabe-Sugano diagrams in determining Do from spectra, charge transfer spectra and its application in inorganic & coordination compounds.

10.00
Unit III: 
Photoelectron Spectroscopy

Basic principle, ionization process, Koopman’s theorem, photoelectron spectra of atoms (Ar, Kr, Xe) and simple molecules (H2, N2, CO, NO, HBr, C6H6), ESCA and its applications, Auger electron spectroscopy (basic idea)

11.00
Unit IV: 
Electron Spin Resonance Spectroscopy

Some basic elements of ESR spectroscopy, relaxation processes- spin-lattice relaxation, spin-spin relaxation and exchange interaction. Zero field splitting and Kramer’s degeneracy, ‘g’ value and factors affecting ESR lines, hyperfine interaction- isotropic and anisotropic hyperfine interaction, spin Hamiltonian, spin densities and McConnell relationship, application to transition metal complexes (having one unpaired electron) including biological systems.

8.00
Unit V: 
Mössbauer Spectroscopy

Principles of Mössbauer (MB) spectroscopy, isomeric shift in MB spectroscopy, quadrupole interaction and splitting of the MB spectral lines, effect of a magnetic field on the MB spectrum, magnetic hyperfine interaction, application of technique to the studies of bonding and structure determination of Fe+2, Fe+3, Sn+2 and Sn+4 compounds.

Essential Readings: 

 

  • Fundamental Concepts of Inorganic Chemistry, Volume 4 and 7, First Edition; A. K. Das   and M. Das; CBS Consumer Publishing, New Delhi, 2014.
  • Modern Spectroscopy, Fourth Edition; J.M. Hollas; John Wiley and Sons Ltd, England,2004.
  • Spectroscopy of Inorganic Compounds, First Edition; J. Singh, M.D. Pandey, J. Singh; New Age International Publishers, New Delhi,2021.

 

 

References: 

SUGGESTED READINGS:

  • Fundamentals of Molecular Spectroscopy, Fourth Edition; C.N. Banwell, Mc Cash.; Tata McGraw-Hill, New Delhi, 2017.
  • Physical Methods in Inorganic Chemistry, R.S. Drago; East-West Press pvt .Ltd., New  Delhi, 2012.
  • Inorganic Electronic Spectroscopy, Second Edition; A.B.P. Lever; Elsevier Science Publishing Company Inc., New York, 1986.
  • Analytical Chemistry, Second Edition; D.C. Dash; Prentice Hall India Learning Private Limited, New Delhi, 2016.

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