Application of Spectroscopic Methods in Molecular Structure Determination


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This course introduces the concept of a boundary layer and the physical concepts of boundary layer thickness ( δ ), displacement thickness ( δ * ), momentum thickness ( θ ) and friction drag. It derives Prandtl’s Boundary Layer Equations for laminar boundary layers from the basic Navier-Stokes equations and discusses their exact solutions. It discusses how a laminar boundary layer transitions to turbulence and separates. It also discusses thermal boundary layers. 


Week 1: Introduction to spectroscopic methods – Nuclear magnetic resonance spectroscopy (NMR), spin ½ nuclei, 1H and 13C-NMR spectroscopy, FT-NMR method. Chemical shifts, spin spin coupling, spin-spin splitting pattern recognition for structure elucidation, coupling constants.
Week 2: 1H NMR spectroscopy, Second order effects in NMR spectrum, AB and AA’BB’, ABC spin systems. Solving simple structure elucidation problems with 1H and 13C NMR spectroscopy
Week 3: Stereochemistry determination using NMR techniques. Study of dynamic processes by NMR spectroscopy – examples from organic and organometallic chemistry
Week 4: Mass Spectrometry – various ionization methods – EI, CI, ESI and MALDI methods, fragmentation patterns of simple organic molecules, Use of HRMS.
Week 5: Mass spectrometry – fragmentation patterns of simple organic molecules (continued), solving structure elucidation problems using mass spectrometry.
Week 6: Infra-red spectroscopy – basic concepts, experimental methods, functional group analysis and identification using IR spectroscopy, structural effects on vibrational frequency
Week 7: UV-Vis spectroscopy, electronic transitions in organic molecules, selection rules, application of Beer Lambert law, qualitative and quantitative analysis by UV-Vis spectroscopy.
Week 8: Solving structure elucidation problems using multiple spectroscopic data (NMR, MS, IR and UV-Vis).