DISCUSSION
Based on this experiment, FTIR was used to identify the functional groups that were found in
the samples that were used in this experiment such as benzoic acid, plastic, cyclohexane,
acetone, caffeine and an unknown sample.
BENZOIC ACID
BOND COMPOUND FREQUENCY RANGE OBSERVED VALUE
TYPE (cm-1) (cm-1)
C-H Aromatic Rings 3100- 3000 2837.32
C=C Aromatic Rings 1600,1500 1583.59
C-O Carboxylic acids 1260-1000 1212.92
C=O Carboxylic acids 1760-1670 1684.01
O-H Carboxylic acids 3000-2500 2837.32
Based on the FTIR spectrum, the functional group that were found in benzoic acid is C=O
where it appears at range 1760 cm-1 to 1670 cm-1. The maximum peak that were found from
the FTIR graph is at 1648.01 cm-1. The intensity of the IR band is high because of the
infrared light that stretches the vibrations, causing bond dipoles to change. If a C=O double
bond lengthens, the bond dipole will be stronger and it will increase the intensity of the IR
band. We also found a C-O bond that appears at range 1260 cm-1 to 1000 cm-1. The
maximum peak that we had found from the FTIR graph is at 1212.92 cm-1. Based on the C-O
wavenumber, it is supported by Brian C. Smith stated in his article that the intense stretching
peak is normally found between 1300 and 1000 because C-O single bonds are highly polar
(Brian C. Smith,2017). It also shows that benzoic acid contains carboxylic acid whereby
there was a broad peak shown at the wavenumber 3000 cm-1 to 2500 cm-1. The maximum
peak that we had found from the FTIR graph is at 2837.32 cm-1. According to the
wavenumber, it indicates that the peak was an O-H bond.
PLASTIC
BONDS COMPOUND TYPE FREQUENCY RANGE OBSERVED VALUE
(cm-1) (cm-1)
C-H Alkane 2960-2850 2921.50 & 2850.35
C-H Alkane 1470-1350 (scissoring 1462.88
and bending)
Based on the FTIR spectrum, the functional group that were found in plastic is only alkane
with C-H bond. The C-H is found out to have a maximum peak at 2921.50 cm-1 and it is
concluded that the compound found is polyethylene. Based on the C-O wavenumber, it is
supported by Brian C. Smith and it stated in his research that the C-H is found out to be at
range 2850 and 3000. It shows that polyethylene is a plastic with low density. We also found
C-H bonds of benzene rings that are called “ring modes” from the stretching of the carbon-
carbon bonds in the ring and they typically fall from 1470 to 1350. The benzene ring found
are ranged in 1462.88 cm-1. Based on the wavenumber, it is supported by Brian C. Smith and
it already stated in his research. (Brian C. Smith)
CYCLOHEXANE
BONDS COMPOUND TYPE FREQUENCY RANGE OBSERVED VALUE
(cm-1) (cm-1)
C-H Alkane 2960-2850 2925.16
C-H Alkane 1470-1350 scissoring 1382.21
and bending
Based on the FTIR spectrum, the functional group that were found in cyclohexane is only
alkane with C-H bond. The C-H is found to have a maximum peak at 2925.16 cm-1. From
2950 to 2845 cm-1 there are multiple peaks amounting to strong absorption due to C-H
stretching vibrations in the -CH2- or -CH3 groups in octane. Based on the C-O wavenumber,
it is supported by Doc Brown and it stated in her research. There are also other C-H
absorptions due to C-H deformation vibrations of the CH2 groups at 1470 to 1350 cm-1. The
C-H is found to have a maximum peak at 1382.21 cm-1 based on our FTIR result.
(Doc Brown)
ACETONE
BONDS COMPOUND TYPE FREQUENCY RANGE OBSERVED VALUE
(cm-1) (cm-1)
C=O Ketone 1760-1670 1709.99
C-O Carboxylic Acid 1260-1000 1220.89
Based on the FTIR spectrum, the functional group that we found in acetone is C=O where it
appears at range 1760 cm-1 to 1670 cm-1. The maximum peak that were found from the FTIR
graph is at 1709.99 cm-1. The intensity of the IR band is high because of the infrared light that
stretches the vibrations, causing bond dipoles to change. If a C=O double bond lengthens, the
bond dipole will be stronger and it will increase the intensity of the IR band.
CAFFEINE
BONDS COMPOUND TYPE FREQUENCY RANGE OBSERVED VALUE
(cm-1) (cm-1)
C=C Alkene 1680-1640 1646.11
C-N Amine 1340-1020 1285.25
Based on the FTIR spectrum, the functional group that we found in caffeine is C=C where it
appears at range 1680 cm-1 to 1640 cm-1. The maximum peak that were found from the FTIR
graph is at 1646.11 cm-1. Alkene C=C stretches fall between 1680 and 1630 and this has been
supported by Brian C. Smith from his research. We also found a C=O bond where it appears
at range 1760 cm-1 to 1670 cm-1. The maximum peak that we had found from the FTIR graph
is at 1694.37 cm-1. It has been supported by Brian C. Smith researches that C=O stretch in
general for aromatic carboxylic acids; its peak falls from 1710 to 1680, lower than for
saturated acids, because of conjugation. Lastly, we found a C-N bond where it appears at
range 1340 cm-1 to 1020 cm-1. The maximum peak that we have found from the FTIR graph
is at 1285.25 cm-1. Based on Brian C. Smith research, he stated that C-N stretches are not that
polar, their peak intensities are not strong, and they usually fall in the busy fingerprint region
which is 1600 to 1000 cm-1 of the mid-infrared spectrum.
(Brian C. Smith)
UNKNOWN
BONDS COMPOUND TYPE FREQUENCY RANGE OBSERVED VALUE
(cm-1) (cm-1)
C-H Alkanes 2960-2850 2924.84
C-H Alkane 1480-1440 1449.66
For the last sample which is an unknown sample, we found out by comparing the peak
obtained from the IR spectra that this sample is cyclohexane. It shows that cyclohexane
consists of C-H bonds. Based on the FTIR spectrum, the C-H is found to have a maximum
peak at 2924.84 cm-1. From 2950 to 2845 cm-1 there are multiple peaks amounting to strong
absorption due to C-H stretching vibrations in the -CH2- or -CH3 groups in octane. From the
C-O wavenumber, it is supported by Doc Brown and it stated in her research. There are
also other C-H absorptions due to C-H deformation vibrations of the CH2 groups at 1480 to
1440 cm-1. The C-H is found to have a maximum peak at 1449.66 cm-1 based on our FTIR
result. (Doc Brown)
QUESTION
1. Explain why a background spectrum must be run before obtaining the sample
spectrum.
To make sure only getting the data from the sample, and not a spectrum that contain
another chemical.
2. Why must ‘neat’ liquids and not aqueous solutions be used on salt plates?
Neat liquids are a pure liquid that do not contain any solvent or water thus it does not
dissolve the salt plates. The organic compound analyzed by this method must be free
of water.
REFERENCES
Brown, P. (n.d.). C6H12 infrared spectrum of cyclohexane prominent wavenumbers cm-1
detecting no functional groups present finger print for identification of cyclohexane
image diagram doc brown’s advanced organic chemistry revision notes. © Dr Phil
Brown. [Link]
Smith, B. C. (2020a, December 20). Organic Nitrogen Compounds II: Primary Amines.
Spectroscopy Online. [Link]
compounds-ii-primary-amines
Smith, B. C. (2020b, December 20). The C=O Bond, Part III: Carboxylic Acids.
Spectroscopy Online. [Link]
carboxylic-acids
Smith, B. C. (2020c, December 20). The C-O Bond, Part I: Introduction and the Infrared
Spectroscopy of Alcohols. Spectroscopy Online.
[Link]
spectra-alcohols-0
Smith, B. C. (2021, December 13). The Infrared Spectra of Polymers III: Hydrocarbon
Polymers. Spectroscopy Online. [Link]
infrared-spectra-of-polymers-iii-hydrocarbon-polymers
