7.3.1

Understanding NMR

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Basic NMR Principles

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

Information given by NMR spectra

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.
Overall spin

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.
External magnetic field

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.

Nuclei in a magnetic field

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.
Energy difference

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.
Energy gap

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.
NMR signals

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.
Different chemical environments

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.

NMR signals

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.
Chemical shifts

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.
Chemical shift notation

Chemical shift notation

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

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
1

Structure - Models of the Particulate of Matter

1.1

Introduction to the Particulate Model of Matter

1.1.1States of Matter1.1.2Kinetic Molecular Theory1.1.3Simple Sphere1.1.4Changing State1.1.5Forces Between Particles1.1.6Changes of State1.1.7Predicting States1.1.8Changing State HyperLearning1.1.9Ionization Energy
1.2

The Nuclear Atom

1.2.1Fundamental Particles1.2.2Isotopes & Mass Number1.2.3Mass Spectrometry1.2.4Mass Spectrometry1.2.5Mass Spectroscopy - Analysis1.2.6Extended Response - Mass Spectrometry1.2.7Radioactivity
1.3

Electron Configuration

1.3.1Electron Shells, Sub-Shells & Orbitals1.3.2Electron Configuration1.3.3Absorption & Emission Spectra1.3.4IB Multiple Choice - Atomic Structure1.3.5Extended Response - The Atom & Electrons
1.4

Counting Particles by Mass: The Mole

1.4.1Relative Masses1.4.2The Mole1.4.3IB Multiple Choice - Moles
1.5

Ideal Gases

1.5.1Ideal Gas Equation1.5.2Gas Laws1.5.3IB Multiple Choice - Gases & Kinetics
1.6

Elements, Compounds & Mixtures

1.6.1Fundamental Particles1.6.2Pure Substances1.6.3Purity & The Law of Definite Proportion1.6.4Mixtures1.6.5Separating Mixtures1.6.6IB Multiple Choice - Pure Substances1.6.7Extended Response - Moles & Pure Substances
1.7

States of Matter & Changes of State

1.7.1States of Matter1.7.2Particle Diagrams1.7.3IB Multiple Choice - Solids, Liquids, & Gases1.7.4Balancing Equations & Ionic Equations1.7.5Empirical & Molecular Formulas
1.8

Reacting Masses &. Volumes

1.8.1Balancing Equations & Ionic Equations1.8.2Percentage Yield
1.9

Solutions

1.9.1Molarity1.9.2Particulate Model of Solutions
2

Structure - Models of Bonding & Structure

2.1

The Ionic Model

2.1.1Ionic Bonding
2.2

The Covalent Model

2.2.1Covalent Bonds2.2.2Complex Ions2.2.3Factors Affecting Covalent Bond Strength2.2.4Polarity
2.3

Covalent Structures

2.3.1Ionic Lewis Structures2.3.2Covalent Lewis Structures2.3.3VSEPR Theory2.3.4Resonance Structures2.3.5Allotropes of Carbon2.3.6Formal Charge2.3.7End of Topic Quiz - Bonding2.3.8IB Multiple Choice - Bonding & Lewis Structures2.3.9IB Multiple Choice - Resonance & Formal Charge
2.4

The Metallic Model

2.4.1Metallic Bonding
2.5

From Models to Materials

2.5.1Alloys2.5.2Properties of Polymers2.5.3Polymerisation Reactions2.5.4Introduction to Alkenes2.5.5Reactions of Alkenes2.5.6End of Topic Quiz - Alkenes
2.6

Valence Electrons & Ionic Compounds

2.6.1Valence Electrons & Forming Ions2.6.2Ionic Compounds2.6.3End of Topic Quiz - Atoms & Ions2.6.4IB Multiple Choice - Valence & Ions
2.7

Molecular Shape

2.7.1VSEPR2.7.2Molecular Shapes2.7.3Bond Hybridization2.7.4IB Multiple Choice - VSEPR & Bond Hybridization2.7.5Extended Response - Bonding & Molecular Shape
2.8

Intermolecular Forces

2.8.1Introduction to Intermolecular Forces2.8.2London Dispersion Forces2.8.3Dipole-Dipole Interactions2.8.4Ion-Dipole Interactions2.8.5Hydrogen Bonding2.8.6Large Biomolecules2.8.7IB Multiple Choice - Intermolecular Forces2.8.8Extended Response - Hydrogen Bonding
3

Structure - Classification of Matter

3.1

The Periodic Table: Classification of Elements

3.1.1The Periodic Table3.1.2Trends in the Periodic Table3.1.3End of Topic Quiz - Periodicity & Trends3.1.4Periodic Trends - Electronegativity & Affinity3.1.5End of Topic Quiz - Periodic Trends3.1.6IB Multiple Choice - Periodic Trends3.1.7Extended Response - Periodic Table
3.2

Periodic Trends

3.2.1Atomic & Ionic Radii3.2.2Ionisation & Electronegativity3.2.3Metallic Behaviour & Oxides3.2.4Period 3 Elements & Oxides3.2.5Period 3 Oxides3.2.6End of Topic Quiz - Period 33.2.7Periodic Trends: Blocks3.2.8Redox Chemistry
3.3

Group 1 Alkali Metals

3.3.1Alkali Metals
3.4

Halogens

3.4.1Introduction to Halogens3.4.2Reactions of Halogens3.4.3Chlorine & Chlorate(I)3.4.4End of Topic Quiz - Group 73.4.5Exam-Style Question - Group 73.4.6End of Topic Quiz - Periodicity, Group 2 & 7
3.5

Noble gases, group 18

3.5.1Noble Gases
3.6

Functional Groups: Classification of Organic

3.6.1Nomenclature3.6.2Trends in Physical Properties3.6.3Saturated & Unsaturated Hydrocarbons3.6.4Nomenclature contd.3.6.5Types of Formulas3.6.6Isomerism3.6.7Formulae3.6.8Homologous Series3.6.9Structural Isomers
3.7

Functional Group Chemistry

3.7.1Degrees of Substitution3.7.2Arenes
3.8

Alkanes

3.8.1Alkanes3.8.2Fractional Distillation3.8.3Cracking3.8.4Combustion3.8.5Chlorination3.8.6End of Topic Quiz - Alkanes
3.9

Alcohols

3.9.1Production of Alcohols3.9.2Oxidation of Alcohols3.9.3Oxidation of Alcohols - 23.9.4Elimination Reactions3.9.5End of Topic Quiz - Alcohols3.9.6Exam-Style Question - Alcohols
3.10

Halogenoalkanes

3.10.1Substitution Reactions3.10.2Elimination Reactions3.10.3Ozone Depletion3.10.4End of Topic Quiz - Halogenoalkanes
4

Reactivity - What Drives Chemical Reaction?

4.1

Endothermic & Exothermic Reactions

4.1.1Endothermic & Exothermic Reactions4.1.2Energy Diagrams4.1.3Heat Transfer & Thermal Equilibrium4.1.4IB Multiple Choice - Enthalpy & Energy
4.2

Enthalpy of Reaction, Formation, & Hess' Law

4.2.1Enthalpy of Reaction4.2.2Bond Enthalpies4.2.3Enthalpy of Formation4.2.4Hess’ Law4.2.5Thermodynamics & Kinetic Control4.2.6End of Topic Quiz - Thermodynamics4.2.7IB Multiple Choice - Enthalpy4.2.8Extended Response - Enthalpy Change
4.3

Entropy

4.3.1Introduction to Entropy4.3.2Absolute Entropy & Entropy Change4.3.3Free Energy4.3.4Thermodynamically Favorable Reactions4.3.5IB Multiple Choice - Entropy & Free Energy4.3.6Extended Response - Free Energy
5

Reactivity - How Much, How Fast & How Far?

5.1

Kinetics

5.1.1Collision Theory & Rates of Reaction5.1.2Maxwell-Boltzmann Distribution5.1.3Increasing Rates5.1.4End of Topic Quiz - Kinetics
5.2

Rates of Reaction

5.2.1Rate Equations5.2.2Rate Equations 25.2.3The Effect of a Catalyst
5.3

Stoichometry

5.3.1Stoichiometry
5.4

Le Châtelier’s Principle

5.4.1Introduction to Le Châtelier’s Principle5.4.2Reaction Quotient & Le Châtelier’s Principle5.4.3Temperature & Le Châtelier’s Principle5.4.4IB Multiple Choice -Le Châtelier’s Principle5.4.5Extended Response - Le Châtelier
5.5

Introduction to Equilibrium

5.5.1Equilibrium & Equilibrium Graphs5.5.2Dynamic Equilibria5.5.3Reversible Reactions & Directions
5.6

Equilibrium Constant

5.6.1Calculating the Equilibrium Constant5.6.2Magnitude of the Equilibrium Constant5.6.3Properties of the Equilibrium Constant5.6.4Calculating Equilibrium Concentrations5.6.5Representations of Equilibrium5.6.6IB Multiple Choice - Equilibrium Constants5.6.7Extended Response - Calculating Kc
5.7

Reaction Quotient & Equilibrium Constant

5.7.1Reaction Quotient5.7.2Equilibrium Constants5.7.3Partial Pressures5.7.4Kp5.7.5IB Multiple Choice - Reaction Quotient & Kp5.7.6Extended Response - Kp & Bond Enthalpy
6

Reactivity - The Mechanisms of Chemical Change

6.1

Proton Transfer Reactions

6.1.1Brønsted-Lowry Theory
6.2

The pH Scale

6.2.1pH & pOH6.2.2Ionic Product of Water6.2.3Using Kw6.2.4IB Multiple Choice - pH & Kw6.2.5Extended Response - Kw
6.3

Strong & Weak Acids and Bases

6.3.1Strong Acids & Bases6.3.2Weak Acids & Ka6.3.3Weak Bases & Kb6.3.4Weak Acids & Bases Calculation Walkthrough
6.4

Acid Deposition

6.4.1Acid Deposition
6.5

Types of Organic Reactions

6.5.1Electrophilic Substitution
6.6

Oxidation & Reduction

6.6.1Oxidation Number Method6.6.2Winkler Method6.6.3Redox Reactions6.6.4Oxidation States & Equations6.6.5End of Topic Quiz - Redox6.6.6Extended Response - Redox Reactions
6.7

Electrochemical Cells

6.7.1Introduction to Electrochemical Cells6.7.2Galvanic Cells6.7.3Cell Notation6.7.4Electrolytic Cells6.7.5Extended Response - Voltaic Cells & Redox
6.8

Titration

6.8.1Redox Titrations6.8.2Titration Calculations6.8.3Atom Economy
6.9

Acid-Base Titrations

6.9.1Titration Calculation Weak Acid & Strong Base6.9.2Titration Experimental Detail6.9.3Extended Response - Titration6.9.4Titration Calculations6.9.5Titration Curves6.9.6Titration Calculation Strong Acid & Weak Base6.9.7IB Multiple Choice - Titrations6.9.8Polyprotic Acids6.9.9Titration Calculations Strong Acid & Strong Base6.9.10Titrations Curves 2
7

Measurement, Data Processing & Analysis

7.1

Uncertainties & Errors in Measurements & Results

7.1.1Qualitative & Quantitative data
7.2

Graphical Techniques

7.2.1Drawing & Interpreting Graphs7.2.2Linear Interpolation
7.3

Spectroscopic Identification of Organic Compounds

7.3.1Understanding NMR7.3.2Carbon-13 NMR7.3.3Hydrogen-1 NMR7.3.4Hydrogen-1 NMR 27.3.5End of Topic Quiz - NMR
7.4

Infrared Spectroscpy

7.4.1Infrared Spectroscopy

Practice questions on Understanding NMR

Can you answer these? Test yourself with free interactive practice on Seneca — used by over 10 million students.

  1. 1
    What is the nucleon number of the isotope of carbon that is used in NMR?Multiple choice
  2. 2
    What does NMR stand for?Fill in the list
  3. 3
    A nuclei in a magnetic field will be:Fill in the list
  4. 4
    The energy gap between two spin states corresponds to energy in which region of the electromagnetic spectrum?Multiple choice
  5. 5
    If a <sup>1</sup>H NMR spectrum has 4 signals, how many different <sup>1</sup>H environments are there in the molecule?Multiple choice
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Linear Interpolation

Carbon-13 NMR