6.9.1

Understanding NMR (A2 Only)

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Basic NMR Principles

Nuclear Magnetic Resonance (NMR) spectroscopy is a widely used analytical technique for the characterisation of organic compounds.

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Information given by NMR spectra

  • An NMR spectrum gives information about the environments and positions of hydrogen and carbon atoms in a molecule.
    • This makes it a very powerful analytical tool for chemists.
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Overall spin

  • In NMR, we can only analyse nuclei that have an overall spin.
    • These are nuclei that have an odd nucleon number.
    • The nucleon number is equal to the number of protons + number of neutrons.
  • 13C and 1H are both examples of such nuclei. This is why these isotopes are commonly used for NMR.
    • The nucleon number of 13C is 13.
    • The nucleon number of 1H is 1.
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External magnetic field

  • In NMR spectroscopy, we place a sample substance into a magnetic field.
  • As we've said, the nuclei of the substance have an overall spin.
    • This means that the nuclei are each very small magnetic fields themselves.
    • The nuclei can interact with the externally applied magnetic field that they are sitting in.
  • The overall nuclear spin can either spin with or against the external magnetic field.

NMR Theory

We will now consider what causes the signals produced in NMR spectra. Remember the NMR can either be 1H NMR or 13C NMR.

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Nuclei in a magnetic field

  • The nuclei sit in a magnetic field and some of their overall spins will spin with the magnetic field and some will spin against the field.
  • We call whether they spin with or against the field different spin states.
    • The nuclei spinning with the magnetic field are lower in energy.
    • The nuclei spinning against the magnetic field are higher in energy.
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Energy difference

  • The nuclei can exist as either of two spin states which are of different energies.
  • So energy must be gained or lost for a nucleus to change its spin state.
    • We say there is an energy gap between the two spin states.
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Energy gap

  • The energy gap between the two spin states corresponds to energy in the radio frequency region.
  • So we use radio waves to change the nuclear spin state of the nuclei.
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NMR signals

  • Transitions between nuclear spin states appear as signals in the NMR spectrum.
    • In 1H NMR, the signals represent the 1H nuclei transitioning spin state.
    • In 13C NMR, the signals represent the 13C nuclei transitioning spin state.
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Different chemical environments

  • The exact energy and frequency of radio waves needed to change the nuclear spin state is different in different chemical environments.
  • So different NMR signals represent nuclei positioned in different chemical environments.
    • In 1H NMR, each signal represents a 1H in a different chemical environment.
    • In 13C NMR, each signal represents a 13C in a different chemical environment.

Chemical Shifts

NMR spectra display signals at specific chemical shift values. The chemical shift is the values that appear on the x-axis of the spectrum.

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NMR signals

  • As we've seen, a transition of nuclei between spin states causes a specific signal.
  • Nuclei in the same environment will produce the same signal.
    • For 1H NMR, 1Hs in the same environment produce the same signal.
    • For 13C NMR, 13Cs in the same environment produce the same signal.
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Chemical shifts

  • A signal appears on the spectrum at a specific point along the x-axis. This is the chemical shift value.
    • Nuclei in the same environment will produce a signal at the same chemical shift value.
  • Overall when we read a spectrum, we can say that each different signal, of a particular chemical shift along the x-axis, represents a nucleus in a different environment.
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Chemical shift notation

  • The sign for a chemical shift is δ.
  • The units of chemical shift is ppm.
    • This stands for parts per million.
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Chemical shift tables

  • A table of chemical shift values, for both 1H and 13C, has been made.
    • This shows possible chemical shift values for a particular 1H or 13C environment.
    • E.g. A 1H in an alcohol is a specific environment. ROH signals are found between 0.5δppm to 5.0δppm.

Jump to other topics

1Physical Chemistry

1.1Atomic Structure

1.1.1Fundamental Particles

1.1.2Isotopes & Mass Number

1.1.3Mass Spectrometry

1.1.4Electron Shells, Sub-Shells & Orbitals

1.1.5Electron Configuration

1.1.6Ionisation Energy

1.1.7Factors Affecting Ionisation Energies

1.1.8Trends of Ionisation

1.1.9Specific Impacts on Ionisation Energies

1.1.10End of Topic Test - Atomic Structure

1.1.11A-A* (AO3/4) - Atomic Structure

1.2Amount of Substance

1.2.1Relative Masses

1.2.2The Mole

1.2.3The Ideal Gas Equation

1.2.4Empirical & Molecular Formulae

1.2.5Balanced Equations

1.2.6Percentage Yield

1.2.7A-A* (AO3/4) - Percentage Yield

1.2.8Atom Economy

1.2.9End of Topic Test - Amount of Substance

1.2.10A-A* (AO3/4) - Substances & Yield

1.3Bonding

1.3.1Ionic Bonding

1.3.2Covalent & Dative Bonding

1.3.3Carbon Structures

1.3.4Metallic Bonding

1.3.5Physical Properties

1.3.6Shapes of Molecules

1.3.7Polarity

1.3.8Intermolecular Forces

1.3.9Intermolecular Forces 2

1.3.10End of Topic Test - Bonding

1.3.11Exam-Style Question - Shape of Molecules

1.3.12A-A* (AO3/4) - Bonding

1.4Energetics

1.4.1Enthalpy Changes

1.4.2Calorimetry

1.4.3Hess' Law

1.4.4Bond Enthalpies

1.4.5End of Topic Test - Energetics

1.5Kinetics

1.5.1Collision Theory

1.5.2Maxwell-Boltzmann Distribution

1.5.3Increasing Rates

1.5.4End of Topic Test - Kinetics

1.6Equilibria

1.6.1Le Chatelier

1.6.2Equilibrium Constants

1.6.3A-A* (AO3/4) - Energetics, Kinetics, Equilibria

1.6.4End of Topic Test - Equilibria

1.7Redox

1.7.1Redox

1.7.2End of Topic Test - Redox

2Physical Chemistry 2 (A2 Only)

2.1Thermodynamics (A2 Only)

2.1.1Born-Haber Cycles (A2 Only)

2.1.2Born-Haber Cycle Calculations (A2 Only)

2.1.3Entropy (A2 Only)

2.1.4Free Energy (A2 Only)

2.1.5End of Topic Test - Thermodynamics

2.1.6A-A* (AO3/4) - Thermodynamics

2.2Rate Equations (A2 Only)

2.2.1Rate Equations (A2 Only)

2.2.2Rate Equations 2 (A2 Only)

2.2.3The Arrhenius Equation (A2 Only)

2.2.4Experimental Methods for Rates (A2 Only)

2.2.5End of Topic Test - Rate Equations

2.2.6Exam-Style Question - Rates

2.2.7A-A* (AO3/4) - Rate Equations

2.3The Equilibrium Constant Kp (A2 Only)

2.3.1Properties of Kp (A2 Only)

2.4Electrochemical Cells (A2 Only)

2.4.1Electrochemical Cells (A2 Only)

2.4.2Electrochemical Series (A2 Only)

2.4.3Commercial Application (A2 Only)

2.4.4End of Topic Test - Kp & Electrochemistry

2.4.5A-A* (AO3/4) - Electrochemical Cells

2.5Acids & Bases (A2 Only)

2.5.1Brønsted-Lowry Acids & Bases (A2 Only)

2.5.2pH (A2 Only)

2.5.3The Ionic Product of Water (A2 Only)

2.5.4Weak Acids & Bases (A2 Only)

2.5.5pH Curves & Titrations (A2 Only)

2.5.6pH Curves & Titrations 2 (A2 Only)

2.5.7Buffer Solutions (A2 Only)

2.5.8End of Topic Test - Acids & Bases

2.5.9Exam-Style Question - Weak Acids

2.5.10A-A* (AO3/4) - Acids & Bases

3Inorganic Chemistry

3.1Periodicity & Trends

3.1.1The Periodic Table

3.1.2Trends in the Periodic Table

3.1.3End of Topic Test - Periodicity & Trends

3.2Group 2

3.2.1Group 2 Chemistry

3.2.2End of Topic Test - Group 2

3.3Group 7

3.3.1Introduction to Halogens

3.3.2Reactions of Halogens

3.3.3Chlorine & Chlorate(I)

3.3.4End of Topic Test - Group 7

3.3.5Exam-Style Question - Group 7

3.3.6A-A* (AO3/4) - Periodicity, Group 2 & 7

4Inorganic Chemistry 2 (A2 Only)

4.1Period 3 (A2 Only)

4.1.1Period 3 Elements & Oxides (A2 Only)

4.1.2Period 3 Oxides (A2 Only)

4.1.3End of Topic Test - Period 3

4.2Transition Metals (A2 Only)

4.2.1General Properties (A2 Only)

4.2.2Substitution Reactions (A2 Only)

4.2.3Shapes of Complex Ions (A2 Only)

4.2.4Colours of Ions (A2 Only)

4.2.5Variable Oxidation States (A2 Only)

4.2.6Titrations (A2 Only)

4.2.7Homogeneous Catalysts (A2 Only)

4.2.8Heterogeneous Catalysts (A2 Only)

4.2.9End of Topic Test - Transition Metals

4.2.10A-A* (AO3/4) - Transition Metals

4.3Reactions of Ions in Aqueous Solutions (A2 Only)

4.3.1Acidity (A2 Only)

4.3.2Identification (A2 Only)

4.3.3End of Topic Test - Reactions of Ions in Solution

5Organic Chemistry 1

5.1Introduction

5.1.1Naming Conventions

5.1.2Mechanism

5.1.3Isomerism

5.1.4End of Topic Test - Introduction to Organic Chem

5.2Alkanes

5.2.1Fractional Distillation

5.2.2Cracking

5.2.3Combustion

5.2.4Chlorination

5.2.5End of Topic Test - Alkanes

5.3Halogenoalkanes

5.3.1Substitution Reactions

5.3.2Elimination Reactions

5.3.3Ozone Depletion

5.3.4End of Topic Test - Halogenoalkanes

5.4Alkenes

5.4.1Introduction to Alkenes

5.4.2Reactions of Alkenes

5.4.3Polymerisation Reactions

5.4.4Properties of Polymers

5.4.5End of Topic Test - Alkenes

5.5Alcohols

5.5.1Production of Alcohols

5.5.2Oxidation of Alcohols

5.5.3Oxidation of Alcohols - 2

5.5.4Elimination Reactions

5.5.5End of Topic Test - Alcohols

5.5.6Exam-Style Question - Alcohols

5.6Organic Analysis

5.6.1Reactions

5.6.2Reactions 2

5.6.3Mass Spectrometry

5.6.4Infrared Spectroscopy

5.6.5End of Topic Test - Organic Analysis

5.7A-A* (AO3/4) - Organic 1

5.7.1A-A* (AO3/4) - Organic 1

6Organic Chemistry 2 (A2 Only)

6.1Optical Isomerism (A2 Only)

6.1.1Optical Isomerism (A2 Only)

6.1.2End of Topic Test - Optical Isomerism

6.2Aldehydes & Ketones (A2 Only)

6.2.1Aldehydes & Ketones (A2 Only)

6.2.2End of Topic Test - Aldehydes & Ketones

6.3Carboxylic Acids & Esters (A2 Only)

6.3.1Acids & Esters (A2 Only)

6.3.2Acylation (A2 Only)

6.3.3End of Topic Test - Carboxylic Acids & Esters

6.4Aromatic Chemistry (A2 Only)

6.4.1Structure & Reactivity (A2 Only)

6.4.2Reactions of Benzene (A2 Only)

6.4.3End of Topic Test - Aromatic Chemistry

6.5Amines (A2 Only)

6.5.1Nature & Preparation of Amines (A2 Only)

6.5.2Basicity & Nucleophilicity (A2 Only)

6.5.3End of Topic Test - Amines

6.6Polymers (A2 Only)

6.6.1Condensation Polymers (A2 Only)

6.6.2Biodegradability (A2 Only)

6.7Biological Organic (A2 Only)

6.7.1Amino Acids (A2 Only)

6.7.2Proteins (A2 Only)

6.7.3DNA (A2 Only)

6.7.4Anti-Cancer Drugs (A2 Only)

6.7.5End of Topic Test - Biological Organic

6.8Organic Synthesis (A2 Only)

6.8.1Organic Synthesis (A2 Only)

6.8.2Examples of Synthetic Routes (A2 Only)

6.8.3End of Topic Test - Polymers & Organic Synthesis

6.9NMR Spectroscopy (A2 Only)

6.9.1Understanding NMR (A2 Only)

6.9.2Carbon-13 NMR (A2 Only)

6.9.3Hydrogen-1 NMR (A2 Only)

6.9.4Hydrogen-1 NMR 2 (A2 Only)

6.9.5End of Topic Test - NMR

6.10Chromatography (A2 Only)

6.10.1Overview of Chromatography (A2 Only)

6.10.2Thin-Layer Chromatography (A2 Only)

6.10.3Column Chromatography (A2 Only)

6.10.4Gas Chromatography (A2 Only)

6.10.5End of Topic Test - Chromatography

6.11A-A* (AO3/4) - Organic 2

6.11.1A-A* (AO3/4) - Organic 2

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End of Topic Test - Polymers & Organic Synthesis

Carbon-13 NMR (A2 Only)