PHU 22101 Trinity College Dublin IR Spectroscopy Lab Report

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Data analysis: FT-IR
1. Suitability of Spectrophotometer
Spectrum obtained for polystyrene film
Control of Resolution Performance
Wavenumber Difference in % Compliance with BP?
2870 cm
24
Yes
2849.5 cm
1589 cm
12
Yes
1583 cm
-1
-1
-1
-1
Verification of the wave-number scale
Transmission Minima (cm ) Measured Compliance with BP?
-1
3060.0
2849.5
1942.5
1601.2
1583.0
1154.5
1028.3
3060.03
2849.91
1943.13
1601.38
1583.20
1154.65
1028.53
Yes
Yes
Yes
Yes
Yes
Yes
Yes
A.
Suitability of the spectrophotometer:
The instruments suitability is tested prior to the experiment. This involves testing the instrument
with polystyrene, which has transmission minima as shown in Table 1 according to the BP. As the
instrument was a monochromator, this section of the table was used.
Transmission minima Monochromator Fourier-transformer
3060.0
+ 1.5
+ 1.0
2849.5
+ 2.0
+ 1.0
1942.9
+ 1.5
+ 1.0
1601.2
+ 1.0
+ 1.0
1583.0
+ 1.0
+ 1.0
1154.5
+ 1.0
+ 1.0
1028.3
+ 1.0
+ 1.0
The following spectrum was obtained after the analysis of the polystyrene film. The resulting data
was compared against the above table.
Verification of wavenumber:
Transmission Minima
3060.0
2849.5
1942.5
1601.2
Measured
3060.18
2850.02
1943.2
1061.45
Compliance
Yes (+-1.5)
Yes (+-2.0)
Yes (+-1.5)
Yes (+-1.0)
1583.0
1583.21
Yes (+-1.0)
1154.5
1154.70
Yes (+-1.0)
1028.3
1028.56
Yes (+-1.0)
Each of the measured wavenumber complies with the parameters listed in Table 1.
Resolution Performance:
Wavenumber
2870 cm
28490 cm
1589 cm
1583 cm
-1
-1
-1
-1
Transmittance (%) Difference (%)
45.248%
25.048%
20.209%
61.427%
11.697%
49.730%
Compliance?
>18%
Yes
>10%
Yes
The percentage difference in transmittance between the minimum and maximum has to be greater
than 18. In the spectrum obtained the difference seen was 25.048%, which complies with the BP
The percentage difference in transmittance between the minimum and maximum for second set of
wavenumber should be greater than 10, the number calculated from the spectrum was 11.697% ,
which thus complies with the BP standards.
1. System Suitability
The apparatus for IR spectroscopy must be pre-calibrated with a polystyrene film to ensure
the machine is producing accurate data when we go to analyse our samples. Polystyrene is
used as it Is a very simple polymer and will only have 5 major absorption bands (sp3C-sp3C,
sp2C-sp2C, sp3C-sp2C, sp3C-H and sp2C-H).
Wavenumber
A 2870cm
B 2849.5cm
C 1589cm
D 1583cm
Difference in % Complies with BP?
-1
-1
24
Yes
11
Yes
-1
-1
Transmission Minima cm
3060.0
2849.5
1942.5
1601.2
1583.0
1154.5
1028.3
-1
Acceptable tolerance
+ or – 1.5
+ or – 2
+ or – 1.5
+ or – 1
+ or – 1
+ or – 1
+ or – 1
Measured
3060.01
2849.92
1943.09
1601.35
1583.18
1154.65
1028.52
Complies with BP?
complies
complies
complies
complies
Complies
complies
Complies
As long as the % difference in transmission between Maxima at A and Minima at B is more than 18%
and between Maxima at C and Minima at D is more than 10%, and as long as the transmission
minima don’t deviate outside of their acceptable tolerance in terms of position, as specified in the
BP, we can rely on the IR apparatus to produce accurate data.

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