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UV-Visible Spectroscopy
LEARNING OBJECTIVES
THE ELECTROMAGNETIC
SPECTRUM
WHAT IS SPECTROSCOPY?
INFRARED SPECTROSCOPY
INFRARED SPECTROSCOPY
OO
OO
HO
HO
OO
CC
CH
CH33
CC
Wavenumber = 1/ wavelength
INFRARED SPECTROSCOPY
In the IR region of
the electromagnetic
spectrum, the
absorption of
radiation by a sample
is due to changes in
the vibrational
energy states of a
molecule.
INFRARED SPECTROSCOPY
Methane
H
C
Asymmetrical
stretching
Symmetrical
stretching
H
Rocking or in
plane bending
Bending or scissoring
H
C
H
C
H
C
Twisting or outof-plane
bending
Wagging or outof-plane
bending
INFRARED SPECTROSCOPY
OO
CC
OO
OO
CC
OO
Symmetric stretch
OO
CC
OO
Asymmetric stretch
OO
CC
OO
Bending (doubly
degenerate)
INFRARED SPECTROSCOPY
What is a vibration in a molecule?
INFRARED SPECTROSCOPY
Human Breath
100
80
%T
60
O
H
O
H
40
20
0
4000
3500
3000
2500
2000
1500
wavenumber/cm -1
1000
500
INFRARED SPECTROSCOPY
10 pm
bending vibration
4o
INFRARED SPECTROSCOPY
What wavelength of electromagnetic radiation is
involved in causing vibrations in molecules?
H2
I2
INFRARED SPECTROSCOPY
Ethane
Chloroethane
INFRARED SPECTROSCOPY
POSITION
STRENGTH
WIDTH
REDUCED MASS
BOND STRENGTH
(STIFFNESS)
STRONG BONDS
HIGH FREQUENCY
CHANGE IN
POLARITY
STRONGLY POLAR
BONDS GIVE
INTENSE BANDS
HYDROGEN BONDING
STRONG HYDROGEN
BONDING GIVES
BROAD BANDS
INFRARED SPECTROSCOPY
In general
Bond
C-H
C-D
C-O
C-Cl
/cm-1
3000
2200
1100
700
Bond
CO
C=O
C-O
/cm-1
2143
1715
1100
INFRARED SPECTROSCOPY
4000-3000
cm-1
3000-2000
cm-1
2000-1500
cm-1
1500-1000
cm-1
O-H
N-H
C-H
CC
C=C
C=O
C-O
C-F
C-Cl
deformations
CN
Increasing energy
Increasing frequency
Ethanoic acid
Infrared Instrumentation
IR Source
Sample
compartment
Detector
Infrared Instrumentation
Infrared Instrumentation
Infrared Experimental
InfraredExperimental
Infrared Experimental
Infrared Experimental
Infrared Experimental
To run an IR spectrum of a
liquid sample, a drop or two
of the liquid sample is
applied to a salt plate.
A second salt plate is placed
on top of the first one such
that the liquid forms a thin
film sandwiched between
the two plates.
Infrared Experimental
Infrared Experimental
Benzoic acid
Infrared Experimental
UV-Visible Spectroscopy
UV-Visible Spectroscopy
HH3CC
3
NN
HH3CO
3CO
CC
OO
OO
OO CC
Cocaine
UV-Visible Spectroscopy
Electronic transitions:
p, s, and n electrons
d and f electrons
Charge transfer
Electronic Transitions in
Formaldehyde
UV-Visible Spectroscopy
UV-Visible Spectroscopy
UV-Visible Spectroscopy
Electronic transitions
UV-Visible Spectroscopy
d-d Transitions
Partially occupied d
orbitals
UV-Visible Spectroscopy
Charge Transfer
Electron donor and acceptor characteristics
Metal is acceptor
UV-Visible Spectroscopy
Io
light intensity (I)
I
T t
Io
I
%T t x 100
Io
Io
It
l
It
cuvette
Sample depth
UV-Visible Spectroscopy
Absorbance
AAcl
cl
AA log
log1010TT
The negative logarithm of T is called
the absorbance (A) and this is
directly proportional to sample depth
(called pathlength, l) and sample
concentration (c). The equation is
called the Beer-Lambert law.
Concentration
UV-Visible Spectroscopy
Beer-Lambert Law
limitations
Polychromatic Light
Equilibrium shift
Solvent
pH
UV-Visible Instrumentation
UV-Visible Instrumentation
Light source
Sample containers
Cuvettes
Plastic
Glass
Quartz
UV-Visible Spectroscopy
Open-topped rectangular
standard cell (a) and
apertured cell (b) for limited
sample volume
LYCOPENE
LYCOPENE
UV-Visible Spectroscopy
Acknowledgements