Chemistry 2600 Lecture Notes
Chapter 15 Nuclear Magnetic Resonance Spectroscopy
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Structure Determination in Organic Chemistry: NMR Spectroscopy
Three main techniques are used to determine the structures of unknown organic molecules.
These methods are completely general, and can be used for molecular compounds of all the
elements
These methods are used in conjunction with the chemists knowledge of chemical formula,
chemical structure and composition of functional groups
Basic principles of Nuclear Magnetic Resonance
The Experiment
Some nuclei have nuclear magnetic moments; just as importantly, some do not
These moments may be dipoles or quadrupoles
Some commonly observed dipolar NMR nuclei in two classes:
(A)
Nuclei that are the major isotopes of the element in the natural form
(B)
Nuclei that are only minor constituents of the natural form of the element
Ignoring the theory of the NMR response entirely, we observe that nuclear dipoles are
differentiated in the presence of a strong magnetic field.
Field strengths: 5.87 Tesla (250 MHz 1 H frequency) 11.74 Tesla (500 MHz 1 H frequency)
NMR is insensitive because it is low energy: 1 H versus 13 C NMR response
Chemistry 2600 Lecture Notes
Chapter 15 Nuclear Magnetic Resonance Spectroscopy
The compound
Nuclei in different locations in a molecule experience different local magnetic fields
The unique resonance frequencies of nuclei in different types of nuclei are expressed in fieldindependent units and are then called the chemical shift
( FrequencyA FrequencyRef ) inHz = Chemical shift in ppm
A =
(
)
( Spectrometer Frequency ) in MHz
The standard reference compound for 1 H and 13 C NMR is tetramethylsilane, TMS
Rapidly moving nuclei experience an average local magnetic field
Rotation about single bonds is normally sufficient to render attached nuclei equivalent
Equivalent nuclei act as a single group rather than as individual nuclei: intensity
Double and triple bonds and aromatic compounds render attached nuclei rigid
Symmetry is used to identify equivalent and inequivalent nuclei in the NMR experiment
Spin-spin splitting between inequivalent nuclei is always expressed in Hz and is field
independent
The chemist
NMR is too complex to comprehend without advanced study
Structure determination problems are solved by using pure logic
Practice is the best teacher
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Chemistry 2600 Lecture Notes
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