NMR Spectros

NUCLEAR MAGNETIC
RESONACE SPECTROSCOPY
ABRAHAN – CALIDGUID – GALOR – LLAGAS – NOVEROS – QUEZON – TAMPOS
WHAT IS NMR?
NUCLEAR
MAGNETIC
RESONANCE
Nuclear Magnetic Resonance Spectroscopy
It is a powerful and theoretically

complex analytical tool. It is used in
characterizing organic molecules by
identifying carbon-hydrogen frameworks
within molecules.
Nuclear Magnetic Resonance Spectroscopy
It exploits the magnetic properties of

a certain atomic nuclei.
It determines the physical and
chemical properties of atoms or
molecules.
HISTORY
1938 – Rabi successfully made

accurate measurements of nuclear
magnetic moments.
1946 – Block and Purcell have
demonstrated NMR for condensed
matter which mark its beginning.
SOURCE of NMR
-Radio Waves which have long

wavelengths thus has low energy and
frequency.
-Interaction with low energy radio
waves can change the nuclear spins of
some elements (1H and 13C).
THEORY of NMR
-Two energy states (lower energy state and

high energy state)
- Lower – aligned in same direction as B0.
- Higher – aligned against B0.
-When external energy source is applied into
the two energy states, energy is absorbed
which causes the nucleus to spin flip from an
orientation to another.
THEORY of NMR
-The energy difference between these

two nuclear spin correspond to the low
frequency region of EM spectrum.
- When a charged particle spins on its
axis, magnetic field is created. Which
considers nucleus as a tiny bar magnet.
THEORY of NMR
-These tiny bars are randomly oriented in space

but the presence of magnetic field they are
then oriented against or within a field.
-More nuclei are oriented with the field
because the arrangement is lower in energy.
-There is a very small difference between the
energy of the two states.
EFFECT OF MAGNETIC FIELD
EFFECT OF MAGNETIC FIELD
-Variables that characterize NMR:

- Applied magnetic field (T)
- Frequency on of radiation used for resonance
(Hz, MHz)
-The stronger the magnetic field, the larger the
energy between two nuclear spin and the
higher frequency needed for the resonance.
TYPES OF SAMPLES
-Can either be solid (solid-state NMR

spectroscopy) or liquid (conventional
solution-state NMR spectroscopy).
-All kind of polymers.
PRINCIPLE OF NMR
-A sample is dissolved in solvent and is placed

in a magnetic field.
- A short pulse of radiation is irradiated by the
radiofrequency generator which then causes
resonance.
-As nuclei fall back to lower energy, the
detector measure the released energy and a
spectrum is then recorded.
PRINCIPLE OF NMR
PRINCIPLE OF NMR
- Protons absorb at slightly different frequencies
to easily distinguished by the NMR.
-Electronic environment determines the
frequency at which a particular proton absorbs.
-The size of magnetic field generated by the
electrons around a proton determines where it
absorbs.
PRINCIPLE OF NMR
-Only nuclei that contains odd mass
numbers such as 1H, 13C, 19F, and 31P
or odd atomic numbers such as 2H and
14N gives rise to NMR signals.
-The spin state is affected by an applied
magnetic field.
CHEMICAL SHIFT
-It is the relative energy of a particular
nucleus resulting from its local
environment.
-The spectra shows the applied field
strength increasing from left to right.
-Left is downfield
-Right is upfield
CHEMICAL SHIFT
- Upfield are strongly shielded
- Downfield are weakly shielded
CHEMICAL SHIFT
- Shielded nuclei
- Do not sense a large magnetic field as large as
deshielded nuclei do.
- There is a lower energy difference for shielded
nuclei.
- Deshielded nuclei
- Have higher energy difference between alpha and
beta spin states and the resonate at much higher
frequency.
MEASUREMENT OF CHEMICAL SHIFT
- The difference between strength of magnetic
field at which the observed nucleus resonates
and field strength of a reference.
- It is small but it can be measured.
- A ratio to the total field and multiplied by 106 so the shift
is in ppm.
NMR SPECTROSCOPY
- Carbon 13
- Only carbon isotope with a nuclear spin
- Natural abundance of 1.1%.
- Sample is very dilute in this isotope.
- Hydrogen
- More sensitive than carbon.
- The active nucleus is of 100% natural abundance.
- It shows how many nonequivalent hydrogens are in the compound.
- Equivalents H’s have the same signal while nonequivalent are
different and such could cause additional splitting.
- Replacing H with X gives a constitutional isomer.
APPLICATIONS OF NMR
1. Structural Elucidation
2. Study of dynamic process
3. Structural studies
4. Metabolomics
5. Drug Design
6. Medicine

NMR Spectros

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NUCLEAR MAGNETIC

It is a powerful and theoretically

It exploits the magnetic properties of

1938 – Rabi successfully made

-Radio Waves which have long

-Two energy states (lower energy state and

-The energy difference between these

-These tiny bars are randomly oriented in space

-Variables that characterize NMR:

-Can either be solid (solid-state NMR

-A sample is dissolved in solvent and is placed

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