Module Catalogues, Xi'an Jiaotong-Liverpool University   
Module Code: CHE319
Module Title: Advanced NMR Spectroscopy
Module Level: Level 3
Module Credits: 5.00
Academic Year: 2020/21
Semester: SEM1
Originating Department: Chemistry
Pre-requisites: N/A
The aim of this module is to equip the students with advanced NMR characterization skills, with emphasis on organic compounds
Learning outcomes 
A master the principles of Nuclear Magnetic Resonance spectroscopy

B interpret 1-D and 2-D NMR spectra

C elucidate the structure of complex organic molecules by using a combination of spectroscopic methods

Method of teaching and learning 
Lectures and tutorials
• Revision of basic 1H-NMR and 13C-NMR concepts: Chemical Shift, Integration, J-coupling, first order multiplets

• Basic multinuclear NMR - sensitivity, spins, natural abundance

• Spectral simplification - decoupling

• Attached proton test - APT, DEPT, etc.

• The pulsed NMR experiment: FT, FID, simple pulse sequences.

• Substituent effects - parameters, chemical shift calculations, γ-effect, stereochemical assignment, individual functional groups - rings, sp, sp2, sp3 carbons

• Proton-Proton J-Coupling

• Dipolar and scalar coupling

• Nomenclature for coupled spin systems - magnetic equivalence

• Coupled two-spin systems: AX and AB patterns

• Analyzable three spin systems: AX2, AB2, AMX, ABX systems. Second order effects and "virtual coupling"

• More complicated patterns: ABXY, ABX3, AA'BB', ABC

• Interpretation of J-coupling constants: Two bond (gem) coupling, MO theory of coupling, three bond (vicinal) coupling - Karplus curves, long range coupling (W-coupling)

• Proton Chemical Shifts: Electronegativity, steric compression, magnetic anisotropy, shift reagents and solvent induced shifts

• Coupling Constants involving carbon: One bond C-H coupling-hybridization, two bond C-H coupling, three bond C-H coupling, C-C couplings and applications

• 2D-NMR: The spin-echo experiment, multi-pulse NMR, homonuclear correlation experiments (COSY, etc)

• Relaxation: T1 and T2 in 1H, 13C, and other nuclei, the Nuclear Overhauser Effect (NOESY, ROESY experiments)

• Multinuclear NMR: The spin 1/2 nuclei, quadrupolar nuclei, quadrupolar relaxation, isotopic labeling, isotope shifts, heteronuclear correlation (HETCOR, HMQC, etc)

• Combine NMR with other spectroscopic methods to solve structure problems - IR, UV, MS

Delivery Hours  
Lectures Seminars Tutorials Lab/Prcaticals Fieldwork / Placement Other(Private study) Total
Hours/Semester 26    26      98  150 


Sequence Method % of Final Mark
1 Final Exam 70.00
2 Coursework 15.00
3 Class Test 15.00

Module Catalogue generated from SITS CUT-OFF: 6/5/2020 5:45:00 PM