Application of Spectroscopic Methods in Molecular Structure Determination

COURSE LAYOUT

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 spectroscopyWeek 3: Stereochemistry determination using NMR techniques. Study of dynamic processes by NMR spectroscopy – examples from organic and organometallic chemistryWeek 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 frequencyWeek 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).