Spectroscopy

Introduction: In this chapter we are

going to consider how the different
types of radiation affect molecules
and how this relation can be used.

Electromagnetic spectrum
Unlike water waves oscillations of
electromagnetic waves involve not matter
but electric and magnetic field.

Electromagnetic spectrum
Electromagnetic waves can cover a wide
range of wavelengths or frequencies.
Due to infrared radiation bonds in the
molecules vibrate by stretching and
bending.
Different bonds require different amounts
of energy to make them vibrate. Only the
polar molecules are affected due to this
type of radiation. H H and Cl Cl will not
absorb infrared radiation, but H Cl will.
Electromagnetic spectrum
Electromagnetic Spectrum
Ethanoic acid can be produced in the wine
due to the oxidation of wine. In the spectrum
of ethanoic acid there is a large peak
labelled X at about 1700 cm
-1
this
corresponds to the C = O bond stretching.
There is no such bond in ethanol so
chemists can check the extent of any
oxidation by monitoring the growth of this
peak.


Electromagnetic Spectrum









Electromagnetic Spectrum
Due to the electromagnetic field
inside the microwaves water
molecules in the food to line up with
the field. The field then switches to
the opposite direction and the water
molecules swivel round to line up
again. This causes the energy in the
microwaves to be converted into
thermal energy and this heats the
food. This happens only in polar
compounds.

Electromagnetic Spectrum
Using microwaves organic
compounds which are soluble in both
an organic solvent and water can be
separated as organic solvent is not
affected by microwaves.
Due to ultraviolet radiation oxygen
molecules to dissociate into reactive
oxygen atoms by homolytic fission. This
can react with other oxygen molecules to
produce ozone.

Electromagnetic Spectrum
Using the technique of ultraviolet
radiation, scientists have studied
organic molecules, polymers,
nanoparticles and semiconductors.

High resolution nmr
spectroscopy
When atoms like hydrogen are placed
in a magnetic field, the nuclei align
themselves with the field, just as a
bar magnet aligns itself with the
Earths magnetic field.
High resolution nmr
spectroscopy




Fig.: the energy difference between these two
states corresponds to radio frequencies, according
to the relationship E = hf


High resolution nmr
spectroscopy
The nuclei of atoms can be
pushed from one alignment
to the other by the energy
from radio waves.
High resolution nmr
spectroscopy
The spectrum of
frequencies absorbed by a
particular molecule provides
a great deal of information
about the position of the
hydrogen atoms in it.
High resolution nmr
spectroscopy
The hydrogen atoms in a
molecule that is subjected to
an externally applied
magnetic field do not all
experience the same
magnetic field. This is
because the proton in the
High resolution nmr
spectroscopy
nucleus of a hydrogen atom is
shielded by electrons close to it.
The frequency at which
magnetic resonance occurs is
an indication of the chemical
environment of a proton within a
molecule.

Low resolution nmr
spectroscopy
Low resolution nmr
spectroscopy
Low resolution nmr enables the
identification of:
The number of different types of
proton from the number of
peaks
The relative number of hydrogen
atoms in each group from the
area under the peaks.

High resolution nmr
spectroscopy
High resolution of the spectrum
splits the signals into multiplets.
The splitting occurs because of
the interaction between protons
on neighbouring atoms. This
interaction is called coupling and
causes the splitting into distinct
lines.

High resolution nmr
spectroscopy







Fig.: High resolution spectrum of ethanol
High resolution nmr
spectroscopy
The number of lines in the
split pattern for a peak is
equal to one more than the
number of hydrogen atoms
in the adjacent group in the
molecule.

Use of nmr spectroscopy in
practical field
Nuclear magnetic resonance
and other methods of
structural determination enable
chemists to determine
chemical structure very
quickly.

Use of nmr spectroscopy in
practical field
Nuclear magnetic resonance and other
methods of structural determination
enable chemists to determine chemical
structure very quickly.
nmr spectroscopy technique can be
used to determine the molecular
structure of organic compounds by
studying the series of peaks in the
spectrum.


Use of nmr spectroscopy in
practical field
nmr imaging is an extremely rich
source of information about what is
going on inside patients.
A process known as diffusion
weighted imaging produces as nmr
image which allows very specific
diagnosis of the area of damage after
a stroke.


Use of nmr spectroscopy in
practical field
Nicotine is made in pharmaceiticles
which may contain a chemical cotinine,
which has a very similar structure to
nicotine but has undesirable properties.
Nmr spectroscopy can measure the
purity of samples quickly and
accurately, so that if cotinine appears in
a batch of the drug it can be isolated
and removed before the nicotine is used
therapeutically.


Mass Spectroscopy
Nicotine is made in pharmaceiticles
which may contain a chemical cotinine,
which has a very similar structure to
nicotine but has undesirable properties.
Nmr spectroscopy can measure the
purity of samples quickly and
accurately, so that if cotinine appears in
a batch of the drug it can be isolated
and removed before the nicotine is used
therapeutically.