Details of ID4206 (Spring 2015)

Level: 8 Type: Theory Credits: 3.0

Course CodeCourse NameInstructor(s)
ID4206 Physical Methods of Structure Elucidation Chilla Malla Reddy,
Soumyajit Roy,
Swadhin Mandal

Syllabus
Mass spectroscopy: Introducing Mass Spectrometry; Ionization methods; Mass analyzers; Identifying the molecular ion; analysis based on ion-molecule chemistry; acidity, basicity, and energy considerations; scope and limitations of different types of mass spectrometry with examples. Mossbauer spectroscopy: Introduction to Nuclear fluorescence, Lamb-Mossbauer effect, Doppler shift in Mossbauer Spectroscopy, Mossbauer Spectroscopy of 57Fe; chemical shift, quadrupole and hyperfine splitting; examples of few iron compounds to probe chemical environment and oxidation states. NMR spectroscopy: Review of principles; spins and lattice; master equations and approach to equilibrium; pulses; vector diagrams; spin echo; brief intro on density matrices; product operator formalism; an intro to 2D. 1H NMR analysis, 13C NMR analysis, 31P NMR spectra of specially transition metal compounds, dynamic NMR spectroscopy, 2D NMR analysis. Biomolecular NMR. X-ray crystallography: Basic Theory, periodicity in crystals, geometric principles of diffraction, Miller indices, Bragg's law, the reciprocal lattice, atomic scattering factor, Ewald sphere, asymmetric unit, unit-cell dimensions, crystal faces, symmetry operations, space groups, phase problem, Friedels law, structure factor, systematic absences, twinning, disorder, crystal nucleation and growth; Demonstration of data collection, solving and refinement by one or two examples in the crystallography lab.

References
(1) The Basics of Crystallography and Diffraction by C. Hammond, Oxford University Press, USA, (2001); (2) Crystal Structure Determination by William Clegg, Oxford University Press, USA, (1998); (3) Mossbauer Spectroscopy and Transition Metal Chemistry by P. Gutlich, R. Link, A. Trautwein, Springer, (2013); (4) Introduction to Mass Spectrometry: Instrumentation, Applications and Strategies for Data Interpretation 0004 Edition by O. David Sparkman, John Wiley & Sons, (2007); (5) Organic Spectroscopy, 3rd Edition by W. Kemp, Macmillan, (2011); (6) NMR: The toolkit by Peter Hore, J. A. Jones, P. J. Hore, Oxford University Press, (2000).

Course Credit Options

Sl. No.ProgrammeSemester NoCourse Choice
1 IP 2 Elective
2 IP 4 Elective
3 MR 2 Not Allowed
4 MR 4 Not Allowed
5 MS 8 Elective
6 RS 1 Elective
7 RS 2 Elective