Nuclear Magnetic Resonance Spectroscopy

Outline

This material is based upon work supported by the National Science Foundation under Grant No. 0520982. Any opinions, findings and conclusions or recommendations expressed in this material are those of the author(s) and do not necessarily reflect the views of the National Science Foundation (NSF).

  1. NMR Basics and 1H Resonance

    1. Nuclear Spin States

    2. Chemical Shift

    3. Instrumentation

    4. Solvents for 1H NMR

    5. Information Obtained From NMR Spectroscopy

      1. Chemical Equivalence

      2. Integration

      3. Factors Influencing Chemical Shift

      4. 1H Correlation Chart

      5. Spin-Spin Splitting (n + 1 Rule)

        1. Why Does Splitting Occur?

        2. Coupling Constants

    6. Problems

      1. Problem 1

      2. Problem 2

      3. Problem 3

      4. Problem 4

      5. Problem 5

      6. Problem 6

  2. 13C Resonance

    1. Background

    2. 13C Correlation Chart

    3. 13C Correlation Chart for Carbonyl Compounds

    4. Solvents for 13C NMR

    5. 13C NMR Spectroscopy

      1. Proton-Coupled 13C Spectra

      2. Proton-Decoupled 13C Spectra

      3. Off-Resonance Proton-Decoupled 13C Spectra

    6. Special Considerations in 13C NMR Spectroscopy

      1. Nuclear Overhauser Enhancement

      2. Problems With Integration of 13C Spectra

      3. Heteronuclear Coupling in 13C Spectra

    7. Problems

      1. Problem 1

      2. Problem 2

      3. Problem 3

      4. Problem 4

      5. Problem 5

      6. Problem 6

  3. Calculating Chemical Shift Values

    1. In 1H NMR Spectroscopy

      1. Disubstituted Methylenes

      2. Substituted Alkenes

      3. Substituted Benzene Rings

    2. In 13C NMR Spectroscopy

      1. Linear and Branched Alkanes

      2. Base Values for 13C Chemical Shift in Typical Hydrocarbons

      3. Substituted Alkanes and Cycloalkanes

      4. Linear and Branched Alkenes

      5. Substituted Alkenes

      6. Substituted Benzene Rings

  4. Spin-Spin Coupling

    1. Basics of Coupling Constants

    2. Tables of Coupling Constants

      1. One-Bond Coupling

      2. Typical Proton Coupling Constants

        1. Alkanes

        2. Alkenes

        3. Aromatic Compounds

        4. All Others

    3. Coupling Patterns in NMR

      1. Simple Coupling (n+1)

      2. Complex Coupling (tree diagrams)

      3. Protons on Oxygen

      4. Protons on Nitrogen

      5. Homotopic, Enantiotopic, and Diastereotopic Systems

      6. Deuterium Coupling to Hydrogen and Carbon

      7. Fluorine Coupling to Hydrogen and Carbon

  5. Advanced NMR Techniques

    1. Double Resonance

    2. DEPT (Distortionless Enhancement by Polarization Transfer) Experiment

    3. Two-Dimensional NMR Techniques

      1. COSY (Correlation Spectroscopy) Experiment

      2. HETCOR (Heteronuclear Correlation Spectroscopy) Experiment

  6. Problems

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