CTQ-021 Structural Elucidation of Organic Compounds (2-0-4)

Code: CTQ-021

 

Title: Structural Elucidation of Organic Compounds

 

Level: Master / PhD

Mandatory: no

Total study time: 72h                                                   TPI: (2-0-4)

 

Summary:

Theoretical aspects of Nuclear Magnetic Resonance (NMR) of ¹H and FT-NMR; chemical shifts, spin-spin splitting, first and second order spectra analysis. Practical aspects of ¹H NMR; sample preparation, NMR tubes and solvents, spectra simulation. ¹³C NMR and NOE. Principles and applications of 2D correlation spectroscopy. Case studies in structure attribution and elucidation using sets of spectroscopic and spectrometric data.

 

Bibliography

• Silverstein, R. M.; Bassler, G. C.; Morrill, T. C., Spectrometric Identification of Organic Compounds, 5^th edition, Wiley, 1991.
• Pavia, D. L.; Lampman, G. M.; Kriz, G. S., Introduction to Spectroscopy, 2^nd edition, Saunders Golden Sunburst Series, 1996.
• Williams, D. H.; Fleming, I., Spectroscopic Methods in Organic Chemistry, McGraw-Hill, 1987.
• Field, L. D.; Sternhell, S.; Kalman, J. R., Organic Structure from Spectra, Wiley, 1995.

Complementary Bibliography

• Simpson, J. H., Organic Structure Determination Using 2-D NMR, 2^nd edition, Elsevier, 2012.
• Claridge, T. D. W. (Ed.), High-Resolution NMR Techniques in Organic Chemistry, 2^nd edition, Elsevier, 2009.
• Keeler, J., Understanding NMR Spectroscopy, 2^nd edition, Wiley, 2010.
• Crews, P.; Rodrigues, J.; Jaspars, M., Organic Structure Analysis, Oxford University Press, 1998.