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Introduction to
Spectroscopy
WAVELENGTH
TH(METRES)
(MET
3 -2 -5 -6 -8 -10
10 10 10 5x10
0 10 10 10 -12
MOLECULES
ATOMS
BUTTERFLY
PINHEAD
HUMANS ATOMIC
PROTOZOANS NUCLEUS
INCREASING FREQUENCY m
BUILDINGS
10 4 10 8 10 12 10 15 10 16 10 18 10 20
FREQUENCY (HZ)
SPECTROSCOPY INTRODUCTION 2
When matter absorbs electromagnetic radiation the To ‘see’ a molecule we need to use light having a
change which occurs depends on the type of radiation, wavelength smaller than the molecule itself (approximately
and therefore the amount of energy, being absorbed. 10–10 m). Such radiation is found in the X-ray region of the
Absorption of energy causes an electron or molecule to go electromagnetic spectrum and is used in the field of
from an initial energy state (ground state) to a high energy X-ray crystallography. This technique yields very detailed
state (excited state) which could take the form of the three-dimensional pictures of molecular structures –
increased rotation, vibration or electronic excitation. the only drawback being that it requires high quality
By studying this change in energy state scientists are able crystals of the compound being studied. Although other
to learn more about the physical and chemical properties spectroscopic techniques do not yield a three-dimensional
of the molecules. picture of a molecule they do provide information about its
characteristic features and are therefore used routinely in
• Radio waves can cause nuclei in some atoms to
structural analysis.
change magnetic orientation and this forms the basis
of a technique called nuclear magnetic resonance Mass spectrometry is another useful technique used by
(NMR) spectroscopy. chemists to help them determine the structure of
molecules. Although sometimes referred to as mass
• Molecular rotations are excited by microwaves.
spectroscopy it is, by definition, not a spectroscopic
• Electrons are promoted to higher orbitals by technique as it does not make use of electromagnetic
ultraviolet or visible light. radiation. Instead the molecules are ionised using high
energy electrons and these molecular ions subsequently
• Vibrations of bonds are excited by infrared radiation.
undergo fragmentation. The resulting mass spectrum
The energy states are said to be quantised because a contains the mass of the molecule and its fragments
photon of precise energy and frequency (or wavelength) which allows chemists to piece together its structure.
must be absorbed to excite an electron or molecule from
In all spectroscopic techniques only very small quantities
the ground state to a particular excited state.
(milligrams or less) of sample are required, however, in
Since molecules have a unique set of energy states that mass spectrometry the sample is destroyed in the
depend on their structure, IR, UV-visible and NMR fragmentation process whereas the sample can be
spectroscopy will provide valuable information about the recovered after using IR, UV-visible and NMR
structure of the molecule. spectroscopy.
+
Mass Non-spectroscopic The mass to charge ratio of the
+
spectrometry technique molecular ion (i.e. the molecular
+ weight) and the fragmentation
pattern which may be related to
Molecules fragment the structure of the molecular ion.