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 |
Learning Outcome (at course level) |
Learning and Teaching Strategies |
Assessment Strategies |
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Course Code |
Course title |
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24DCHY811 |
Spectroscopy I (Theory) |
CO215: Determine the structures of simple inorganic molecules using the concepts of IR , Raman spectroscopy group theory. CO216: Apply the knowledge of NQR and Mossbauer spectroscopy in structural determination of inorganic compounds. CO217: Calculate the number of microstates and determine different spectroscopic states and construct Orgel, Tanabe-Sugano and Correlation diagrams of transition metal complexes, calculate Racah parameters and interpret charge transfer spectra of complexes. CO218: Interpret the photoelectron spectra of various atoms and molecules and explain the cncepts of Auger electron spectroscopy. CO219: Explain different elements of ESR spectroscopy and its applications in determination of the structure of transition metal complexes including biological systems. CO220: Contribute effectively in course-specific interaction. |
Approach in teaching: Interactive lectures, tutorials, group discussions and e-learning.
Learning activities for the students: Peer learning, e- learning, problem solving through tutorials and group discussions.
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Written examinations, assignments and quiz
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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.
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.
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.
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).
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.
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