Course

Unit 1:

UV-Visible and Fluorescence Spectroscopy [10 h]Laws of absorption. Type of electronic transitions allowed and forbidden transitions. Chromophore and auxochromes. Factors governing absorption maximum and intensity. Woodward Fieser and Fieser-Kuhns rules – calculation of ?max for simple organic molecules. Fluorescence and phosphorescence – principles, Stokes shift, quantum yield and application. Instrumentation of UV-Visible and fluorescence spectroscopy.

Unit 2:

Infrared Spectroscopy[8 h]Hooks law, vibrational frequency, modes of vibrations, and selection rules. Instrumentation – sampling techniques. Fingerprint and functional group region. Factors influencing vibrational frequency. Interpretation of the IR spectra of organic molecules with various functional groups.

Unit 3:

1H NMR Spectroscopy [12 h]Theory, relaxation effects, NMR active nuclei. Instrumentation magnetic shimming. Chemical shift, magnetic anisotropic effect, spin-spin splitting, n+1 rule, j-j coupling, measurement of J. Karplus relationship, first and second order spectra, double resonance, spin tickling and chemical shift reagents. Spectra of conformational isomers – homotopic, enantiotopic and diastereotopic systems. Nuclear Overhauser effect (NOE). Variable temperature NMR. Application of 1H NMR for the structural elucidation of organic compounds. MestReNova Introduction and data analysis.

Unit 4:

13C, 2D and 3D NMR spectroscopy [16 h]13C NMR theory. 1H coupled and decoupled 13C spectra, chemical shift values. Attached proton test (APT), distortionless enhancement by polarization transfer (DEPT), incredible natural abundance double quantum transfer experiment (INADEQUATE). 13C NMR spectroscopy for the structural elucidation of organic compounds. 11B, 15N, 19F and 31P NMR spectra. 2D-NMR- examples and interpretation of homonuclear (COSY, NOESY, TOCSY) and heteronuclear (HMQC, HSQC) NMR. Introduction to 3D NMR.

Unit 5:

Mass Spectrometry[14 h]Instrumentation methods of ionisation – EI, CI, APCI, ESI, MALDI and FAB. Mass analyser magnetic and electrostatic sector, time of flight and quadrupole. Molecular ion, base peak, multicharged ion, metastable ions and isotope ratio. Fragmentation patterns of saturated, unsaturated and aromatic hydrocarbons, alcohols, phenols, aldehydes, ketones, carboxylic acids, esters, amines, nitro, nitrile and halides. McLafferty rearrangement. Quantitative analysis using mass spectra. Structural elucidation using UV-Visible, IR, 1H NMR, 13C NMR and MS

CO01 understand the basic principle involved in electronic, vibrational, mass and NMR spectroscopy.

CO02 analyze the spectroscopic information to find the structural information of molecules.

COO3 elucidate the structure of the compound using the spectral data for the analysis

Recommended Readings

1.D. L. Pavia, G. M. Lampman, G. A. Kriz, and J. R. Vyvyan, 2009. Introduction to Spectroscopy, 5th Edition, Brooks-Cole.

2.W. Kemp, 1988. Organic Spectroscopy, 3rd Edition, McMillan International Higher Education.

3.Silverstein, R.M. and Bassler, G.C., 2015. Spectrometric identification of organic compounds, 8th edition. Wiley

4.Hollas, J.M., 2004. Modern spectroscopy. John Wiley & Sons.

5.Gnther, H., 2013. NMR spectroscopy: basic principles, concepts and applications in chemistry. John Wiley & Sons.

6.Dyer, J.R., 1965. Applications of absorption spectroscopy of organic compounds. Prentice Hall India Learning Private Limited

7.Hoffmann, E., and Stroobant. V. 2001. Mass spectrometry-principles and applications.

8.Fleming, I. and Williams, D.H., 2007. Spectroscopic methods in organic chemistry. New York: McGraw-hill.