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Fourier Transform Infrared (FTIR) has been developed as a tool for the simultaneous determination of organic components, including chemical bond, as well as organic content (e.g., protein, carbohydrate, and lipid). However, until now, there is no further documents for describing the detailed information in the FTIR peaks. The objective of this study was to demonstrate how to read and assess chemical bond and structure of organic material in the FTIR, in which the analysis results were then compared with the literatures. The step-by-step method on how to read the FTIR data was also presented, including reviewing simple to the complex organic materials. This study is potential to be used as a standard information on how to read FTIR peaks in the biochemical and organic materials. .
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97| Indonesian Journal of Science & Technology,Volume 4 Issue 1, April 2019 Page 97-118
| DOI: http://dx.doi.org/10.17509/ijost.v4i1.15806
| p- ISSN 2528-1410 e- ISSN 2527-8045
How to Read and Interpret FTIR Spectroscope of Organic
Material
Asep Bayu Dani Nandiyanto, Rosi Oktiani, Risti Ragadhita
Departemen Kimia, Universitas Pendidikan Indonesia, Jl. Dr. Setiabudi no 229 Bandung 40154, Indonesia
Correspondence: E-mail: nandiyanto@upi.edu
A B S T R A C T S
A R T I C L E I N F O
Fourier Transform Infrared (FTIR) has been developed as a
tool for the simultaneous determination of organic
components, including chemical bond, as well as organic
content (e.g., protein, carbohydrate, and lipid). However,
until now, there is no further documents for describing the
detailed information in the FTIR peaks. The objective of this
study was to demonstrate how to read and assess chemical
bond and structure of organic material in the FTIR, in which
the analysis results were then compared with the literatures.
The step-by-step method on how to read the FTIR data was
also presented, including reviewing simple to the complex
organic materials. This study is potential to be used as a
standard information on how to read FTIR peaks in the
biochemical and organic materials.
.
© 2019Tim Pengembang Jurnal UPI
Article History:
Received 10 Jan 2019
Revised 20 Jan 2019
Accepted 31 Aug 2019
Available online 09 Apr 2019
____________________
Keywords:
FTIR,
infrared spectrum,
organic material,
chemical bond,
organic structure.
1. INTRODUCTION
Fourier transform infrared (FTIR) is one
of the important analytical techniques for
researchers. This type of analysis can be used
for characterizing samples in the forms of
liquids, solutions, pastes, powders, films,
fibers, and gases. This analysis is also possible
for analyzing material on the surfaces of
substrate (Fan et al., 2012). Compared to
other types of characterization analysis, FTIR
is quite popular. This characterization
analysis is quite rapid, good in accuracy, and
relatively sensitive (Jaggi and Vij, 2006).
In the FTIR analysis procedure, samples
are subjected to contact with infrared (IR)
radiation. The IR radiations then have
impacts on the atomic vibrations of a
molecule in the sample, resulting the specific
absorption and/or transmission of energy.
This makes the FTIR useful for determining
specific molecular vibrations contained in the
sample (Kirk and Othmer, 1953).
Indonesian Journal of Science & Technology
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Many techniques for explaining in detail
regarding the FTIR analysis have been
reported (Coates, 2000; Jaggi and Vij, 2006;
Kirk and Othmer, 1953). However, most
papers did not report in detail about how to
read and interpret the FTIR results. In fact,
the way to understand in detail for beginner
scientists and students are inevitable.
This report was to discuss and explain
how to read and interpret FTIR data in the
organic material. The analysis was then
compared with the literatures. The step-by-
step method on how to read the FTIR data
was presented, including reviewing simple to
the complex organic materials.
As a model of complex organic materials,
Lumbricus rubellus (LR) was used. LR has
quite high protein (64-76%), fat (7-10%),
calcium (0.55%), phosphorus (1%), and crude
fiber (1.08%) (Istiqomah et al., 1958). LR also
has at least 9 types of essential amino acids
and 4 types of non-essential amino acids
(Desi, 2016; Istiqomah et al., 1958). As a
consequence, LR is classified as one of the
most complex organic materials. To ensure
the effectiveness in the step-by-step reading
procedure, various samples of LR that were
heated at specific temperatures were also
analyzed since LR is vulnerable against heat.
We believe that this paper can be used as a
basic knowledge for students and beginner
scientists in comprehending and interpreting
FTIR data.
2. CURRENT KNOWLEDGE FOR
UNDERSTANDING FTIR SPECTRUM
2.1. Spectrum in the FTIR analysis result.
The main idea gained from the FTIR
analysis is to understand what the meaning
of the FTIR spectrum (see example FTIR
spectrum in Figure 1). The spectrum can
result “absorption versus wavenumber” or
“transmission versus wavenumber” data. In
this paper, we discuss only the “absorption
versus wavenumber” curves.
In short, the IR spectrum is divided into
three wavenumber regions: far-IR spectrum
(<400 cm-1), mid-IR spectrum (400-4000 cm-
1), and near-IR spectrum (4000-13000 cm-1).
The mid-IR spectrum is the most widely used
in the sample analysis, but far- and near-IR
spectrum also contribute in providing
information about the samples analyzed. This
study focused on the analysis of FTIR in the
mid-IR spectrum.
The mid-IR spectrum is divided into four
regions:
(i) the single bond region (2500-4000 cm-1),
(ii) the triple bond region (2000-2500 cm-1),
(iii) the double bond region (1500-2000 cm-
1), and
(iv) the fingerprint region (600-1500 cm-1).
The schematic IR spectrum is available in
Figure 1, and the specific frequency of each
functional groups is available in Table 1.
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| DOI: http://dx.doi.org/10.17509/ijost.v4i1.15806
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Functional group/assignment
Wavenumber (cm-1)
Methyl C-H asym./sym. Stretch
29702950/28802860
Methyl C-H asym./sym. Bend
14701430/13801370
gem-Dimethyl or ‘‘iso’’- (doublet)
13851380/13701365
Trimethyl or ‘‘tert-butyl’’ (multiplet)
13951385/1365
Methylene C-H asym./sym. Stretch
29352915/28652845
Methylene C-H bend
14851445
Methylene ―(CH2)n― rocking (n ≥ 3)
750720
Cyclohexane ring vibrations
10551000/1005925
Methyne C-H stretch
29002880
Methyne C-H bend
13501330
Skeletal C-C vibrations
1300700
Methoxy, methyl ether O-CH3, C-H stretch
28502815
Methylamino, N-CH3, C-H stretch
28202780
Figure 1. Mid-IR spectrum regions
Table 1. Functional group and its quantified frequencies. Data was adopted
from reference (Coates, 2000)
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Functional group/assignment
Wavenumber (cm-1)
Alkenyl C=C stretch
16801620
Aryl-substituted C=C
1625
Conjugated C=C
1600
Terminal (vinyl) C-H stretch
30953075
30403010
Pendant (vinylidene) C-H stretch
30953075
Medial, cis- or trans-C-H stretch
30403010
Functional group/assignment
Wavenumber (cm-1)
Vinyl C-H in-plane bend
14201410
Vinylidene C-H in-plane bend
13101290
Vinyl C-H out-of-plane bend
995985 + 915890
Vinylidene C-H out-of-plane bend
895885
trans-C-H out-of-plane bend
970960
cis-C-H out-of-plane bend
700 (broad)
Alkenyl C=C stretch
16801620
Aryl-substituted C=C
1625
Conjugated C=C
1600
Terminal (vinyl) C-H stretch
30953075
30403010
Pendant (vinylidene) C-H stretch
30953075
Medial, cis- or trans-C-H stretch
30403010
Vinyl C-H in-plane bend
14201410
Vinylidene C-H in-plane bend
13101290
Vinyl C-H out-of-plane bend
995985 + 915890
Vinylidene C-H out-of-plane bend
895885
trans-C-H out-of-plane bend
970960
cis-C-H out-of-plane bend
700 (broad)
C=C-C Aromatic ring stretch
16151580
15101450
Aromatic C-H stretch
31303070
Aromatic C-H in-plane bend
1225950 (several)
Aromatic C-H out-of-plane bend
900670 (several)
C-H Monosubstitution (phenyl)
770730 + 710690
C-H 1,2-Disubstitution (ortho)
770735
C-H 1,3-Disubstitution (meta)
810750 + 900860
C-H 1,4-Disubstitution (para)
860800
Aromatic combination bands
20001660 (several)
Table 1 (continue). Functional group and its quantified frequencies. Data
was adopted from reference (Coates, 2000)
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Functional group/assignment
Wavenumber (cm-1)
C≡C Terminal alkyne (monosubstituted)
21402100
C≡C Medial alkyne (disubstituted)
22602190
Alkyne C-H stretch
33203310
Alkyne C-H bend
680610
Alkyne C-H bend
630 (typical)
Aliphatic fluoro compounds, C-F stretch
11501000
Aliphatic chloro compounds, C-Cl stretch
800700
Aliphatic bromo compounds, C-Br stretch
700600
Aliphatic iodo compounds, C-I stretch
600500
Hydroxy group, H-bonded OH stretch
35703200 (broad)
Normal ‘‘polymeric’’ OH stretch
34003200
Dimeric OH stretch
35503450
Internally bonded OH stretch
35703540
Nonbonded hydroxy group, OH stretch
36453600 (narrow)
Primary alcohol, OH stretch
36453630
Secondary alcohol, OH stretch
36353620
Tertiary alcohol, OH stretch
36203540
Phenols, OH stretch
36403530
Primary or secondary, OH in-plane bend
13501260
Phenol or tertiary alcohol, OH bend
14101310
Alcohol, OH out-of-plane bend
720590
Primary alcohol, C-O stretch
~1050
Secondary alcohol, C-O stretch
~1100
Tertiary alcohol, C-O stretch
~1150
Phenol, C-O stretch
~1200
Methoxy, C-H stretch (CH3-O-)
28202810
Alkyl-substituted ether, C-O stretch
11501050
Cyclic ethers, large rings, C-O stretch
11401070
Aromatic ethers, aryl -O stretch
12701230
Epoxy and oxirane rings
~1250 + 8908001)
Peroxides, C-O-O- stretch
8908201)
Table 1 (continue). Functional group and its quantified frequencies. Data
was adopted from reference (Coates, 2000)
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Functional group/assignment
Wavenumber (cm-1)
Methoxy, C-H stretch (CH3-O-)
28202810
Alkyl-substituted ether, C-O stretch
11501050
Cyclic ethers, large rings, C-O stretch
11401070
Aromatic ethers, aryl -O stretch
12701230
Epoxy and oxirane rings
~1250 + 8908001)
Peroxides, C-O-O- stretch
8908201)
Aliphatic primary amine, NH stretch
34003380 + 33453325
Aromatic primary amine, NH stretch
35103460 + 34153380
Primary amine, NH bend
16501590
Primary amine, CN stretch
10901020
Aliphatic secondary amine, >N-H stretch
33603310
Aromatic secondary amine, >N-H stretch
~3450
Heterocyclic amine, >N-H stretch
34903430
Imino compounds, =N-H stretch
33503320
Secondary amine, >N-H bend
16501550
Secondary amine, CN stretch
11901130
Tertiary amine, CN stretch
12101150
Aromatic primary amine, CN stretch
13401250
Aromatic secondary amine, CN stretch
13501280
Aromatic tertiary amine, CN stretch
13601310
Carboxylate (carboxylic acid salt)
16101550/14201300
Amide
16801630
Quinone or conjugated ketone
16901675/(16501600)2)
Carboxylic acid
17251700
Ketone
17251705
Aldehyde
17401725/(28002700)3)
Ester
17501725
Six-membered ring lactone
1735
Alkyl carbonate
17601740
Acid (acyl) halide
18151770
Aryl carbonate
18201775
Five-membered ring anhydride
18701820/18001775
Transition metal carbonyls
21001800
Table 1 (continue). Functional group and its quantified frequencies. Data
was adopted from reference (Coates, 2000)
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Functional group/assignment
Wavenumber (cm-1)
Aliphatic cyanide/nitrile
22802240
Aromatic cyanide/nitrile
22402220
Cyanate (-OCN and C-OCN stretch)
22602240/11901080
Isocyanate (-N=C=O asym. stretch)
22762240
Thiocyanate (-SCN)
21752140
Isothiocyanate (-NCS)
21501990
Open-chain imino (-C=N-)
16901590
Open-chain azo (-N=N-)
16301575
Aliphatic nitro compounds
15601540/138013504)
Organic nitrates
16401620/128512704)
Aromatic nitro compounds
15551485/135513204)
Organic phosphates (P=O stretch)
13501250
Aliphatic phosphates (P-O-C stretch)
1050990
Aromatic phosphates (P-O-C stretch)
12401190/995850
Dialkyl/aryl sulfones
13351300/117011354)
Organic sulfates
14201370/120011804)
Sulfonates
13651340/120011004)
Organic siloxane or silicone (Si-O-Si)
10951075/10551020
Organic siloxane or silicone (Si-O-C)
11101080
Thiols (S-H stretch)
26002550
Thiol or thioether, CH2-S-(C-S stretch)
710685
Thioethers, CH3-S-(C-S stretch)
660630
Aryl thioethers, ø-S (C-S stretch)
715670
Disulfides (C-S stretch)
705570
Disulfides (S-S stretch)
620600
Aryl disulfides (S-S stretch)
500430
Polysulfides (S-S stretch)
500470
Carbonate ion
14901410/8808605)
Sulfate ion
11301080/6806105)
Nitrate ion
13801350/8408155)
Phosphate ion
11001000
Ammonium ion
33003030/143013905)
Cyanide ion, thiocyanate ion, and related ions
22002000
Silicate ion
1100900
Note: 1) Normally, it is very weak in the infrared but more characteristic in the Raman spectrum; 2)Lower frequency band
because of the conjugated double bond; 3)Higher frequency band characteristic of aldehydes, related with the
terminal aldehydic C-H stretch; 4)Asymmetric/symmetric XO2 stretch (NO2 and SO2); 5)Normally, the first
absorption is intense and broad, and the second has weak to medium intensity and narrow. The both often exist
as multiple band structures, and it may be used to characterize individual compounds.
Table 1 (continue). Functional group and its quantified frequencies. Data
was adopted from reference (Coates, 2000)
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2.2. Step-by-step Analysis Procedure.
There are five steps to interpret FTIR:
1. Step 1: Identification of number of
absorption bands in the entire IR spectrum. If
the sample has a simple spectrum (has less
than 5 absorption bands, the compounds
analyzed are simple organic compounds,
small mass molecular weight, or inorganic
compounds (such as simple salts). But, if the
FTIR spectrum has more than 5 absorption
bands, the sample can be a complex
molecule.
2. Step 2: Identifying single bond area (2500-
4000 cm-1). There are several peaks in this
area:
(1) A broad absorption band in the range of
between 3650 and 3250 cm-1, indicating
hydrogen bond. This band confirms the
existence of hydrate (H2O), hydroxyl (-
OH), ammonium, or amino. For hydroxyl
compound, it should be followed by the
presence of spectra at frequencies of
16001300, 12001000 and 800600
cm-1. However, if there is a sharp
intensity absorption in the absorption
areas of 3670 and 3550 cm-1, it allows
the compound to contain an oxygen-
related group, such as alcohol or phenol
(illustrates the absence of hydrogen
bonding).
(2) A narrow band at above 3000 cm-1,
indicating unsaturated compounds or
aromatic rings. For example, the
presence of absorption in the
wavenumber of between 3010 and
3040 cm-1 confirms the existence of
simple unsaturated olefinic compounds.
(3) A narrow band at below 3000 cm-1,
showing aliphatic compounds. For
example, absorption band for long-
chain linear aliphatic compounds is
identified at 2935 and 2860 cm-1. The
bond will be followed by peaks at
between 1470 and 720 cm-1.
(4) Specific peak for Aldehyde at between
2700 and 2800 cm-1.
3. Step 3: Identifying the triple bond region
(2000-2500 cm-1)
For example, if there is a peak at 2200 cm-1,
it should be absorption band of C≡C. The
peak is usually followed by the presence of
additional spectra at frequencies of 1600
1300, 12001000 and 800600 cm-1.
4. Step 4: Identifying the double bond region
(1500-2000 cm-1)
Double bound can be as carbonyl (C = C),
imino (C = N), and azo (N = N) groups.
(1) 1850 - 1650 cm-1for carbonyl
compounds
(2) Above 1775 cm-1, informing active
carbonyl groups such as anhydrides,
halide acids, or halogenated carbonyl,
or ring-carbonyl carbons, such as
lactone, or organics carbonate.
(3) Range of between 1750 and 1700 cm-
1, describing simple carbonyl
compounds such as ketones,
aldehydes, esters, or carboxyl.
(4) Below 1700 cm-1, replying amides or
carboxylates functional group.
(5) If there is a conjugation with another
carbonyl group, the peak intensities
for double bond or aromatic
compound will be reduced.
Therefore, the presence of
conjugated functional groups such as
aldehydes, ketones, esters, and
carboxylic acids can reduce the
frequency of carbonyl absorption.
(6) 1670 - 1620 cm-1for unsaturation
bond (double and triple bond).
Specifically, the peak at 1650 cm-1is
for double bond carbon or olefinic
compounds (C = C). Typical
conjugations with other double bond
structures such as C = C, C = O or
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aromatic rings will reduce the
intensity frequency with intense or
strong absorption bands. When
diagnosing unsaturated bonds, it is
also necessary to check absorption
below 3000 cm-1. If the absorption
band is identified at 3085 and 3025
cm-1, it is intended for C-H. Normally
C-H has absorption above 3000 cm-1.
(7) Strong intensity at between 1650 and
1600 cm-1, informing double bonds or
aromatic compounds.
(8) Between 1615 and 1495 cm-1,
responding aromatic rings. They
appeared as two sets of absorption
bands around 1600 and 1500 cm-1.
These aromatic rings usually followed
by the existence of weak to moderate
absorption in the area of between
3150 and 3000 cm-1(for C-H
stretching).
For the simple aromatic compounds,
several bands can be also observed
between 2000 and 1700 cm-1in the
form of multiple bands with a weak
intensity. It is also support the
aromatic ring absorption band (at
1600/1500 cm-1absorption
frequency), namely C-H bending
vibration with the intensity of
medium absorption to strong which
sometimes has single or multiple
absorption bands found in the area
between 850 and 670 cm-1.
5. Step 5: Identifying the fingerprint region
(600-1500 cm-1)
This area is typically specific and unique.
See detailed information in Table 1. But,
several identification can be found:
(1) Between 1000 and 880 cm-1 for
multiple band absorption, there are
absorption bands at 1650, 3010, and
3040 cm-1.
(2) For C-H (out-of-plane bending), it
should be combined with absorption
bands at 1650, 3010, and 3040 cm-1
which show characteristics of
compound unsaturation.
(3) Regarding vinyl-related compound,
about 900 and 990 cm-1 for identifing
vinyl terminals (-CH=CH2), between
965 and 960 cm-1 for trans unsatrated
vinyl (CH=CH), and about 890 cm-1 for
double olefinic bonds in single vinyl
(C=CH2).
(4) Regarding aromatic compound, a
single and strong absorption band is
around 750 cm-1 for orto and 830 cm-
1 for para.
3. EXPERIMENTAL METHOD
To understand how to read and interpret
the FTIR analysis, the present study used
several FTIR patterns. Two FTIR patterns
were obtained from reference (Coates, 2000)
(as a standard comparison) and the others
are from LR microparticles.
In short of the experimental procedure
for the preparation of LR microparticles, LR
was obtained and purchased from CV
Bengkel dan Agrobisnis, Indonesia. Prior to
using, LR was washed in warm water
(temperature of 40°C) for several hours. The
washed LR was then dried at 70°C for about
15 minutes in the electrical drier. The dried
LR was then put into a batch-typed saw-
milling apparatus, in which the saw-milling
process was explained in our previous study
(Nandiyanto et al., 2018a). Then, for
evaluating the formation of carbon particles
from LR, 0.360 g of saw-milled LR was put
into an electrical furnace and heated in the
atmospheric condition under a fixed
condition: a heating rate of 50°C/min and a
holding time at a specific temperature for 30
min. To obtain the clear evaluation in the
transformation of LR into carbon particles,
heating temperatures were varied from 80 to
250°C in a small step of almost every 10°C.
The heated material was subsequently
cooled to room temperature with a cooling
rate of 50°C/min. To support the FTIR
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analysis, FTIR (FTIR-4600, Jasco Corp., Japan)
was utilized.
4. RESULTS AND DISCUSSION
4.1. FTIR analysis of sample gained from
literature
Figure 2 shows the analysis of 2-
propanone. To understand the appearance
peaks in the FTIR below, step-by-step process
can be used. The results can be concluded as
follows:
(1) Regarding the number of peaks, there
are more than five peaks, informing that
the analyzed chemical is not a simple
chemical.
(2) The peaks contained single bond area
(2500-4000 cm-1).
- No broad absorption band was found,
informing there is no hydrogen bond
in the material.
- There is a sharp bond at about 3500
cm-1, replying the existence of
oxygen-related bonding.
- No other peaks between 3000 and
3200 cm-1 was found, informing there
is no aromatic structure
- Narrow bond at less than 3000 cm-1
responded to the C-C bond.
- No specific peak for aldehyde has
been found at between 2700 and
2800 cm-1.
(3) No triple bond region (2000-2500 cm-1)
was detected, informing no C≡C bond in
the material.
(4) Regarding the double bond region
(1500-2000 cm-1), there is a huge and
sharp peak was detected at about 1700
cm-1. This informs some carbonyl double
bond, which can be from ketones,
aldehydes, esters, or carboxyl. Since
there is no specific peak for aldehyde at
between 2700 and 2800 cm-1 (as
desribed in the previous step), the
prospective peak for carbonyl should be
from ketone. No peak at about 1600 cm-
1, informing there is no C=C bonding in
the material.
(5) Based on above interpretation,
several conclusions can be obtained,
including the analyzed material has no
hydrate component. This material has
ketones-related component, no
double or triple bond in the material.
Since the peaks were only about 10
peaks, the material should be a small
organic compound.
(6) The other example in the FTIR analysis
is shown in Figure 3. This figure is the
FTIR analysis result of toluene
Figure 2. Example of FTIR spectra 1. Adopted from: Coates (2000)
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| p- ISSN 2528-1410 e- ISSN 2527-8045
(7) The result showed that a lot of numbers
of peaks were detected, informing the
complex structure material
(8) In the single bond area (2500-4000 cm-1),
several peaks were detected.
- No broad absorption band in the range
of between 3650 and 3250 cm-1,
indicating no hydrogen bond.
- Peaks at between 3000 and 3200 cm-1,
replying the aromatic ring.
- Peaks at below 3000 cm-1, responding
the single bond of carbon.
- No aldehyde peak was detected at
between 2700 and 2800 cm-1.
(9) Regarding the triple bond region (2000-
2500 cm-1), no peak was detected,
informing no C≡C bonding.
(10) In the double bond region (1500-2000
cm-1), several peaks were detected:
- Above 1775 cm-1, informing active
carbonyl groups, in which this should
be from ring-carbonyl carbons.
- Range of between 1750 and 1700 cm-1,
describing simple carbonyl
compounds, in which this is due to the
bonding between methyl (CH3) to the
benzene ring.
- Huge band at about 1600 cm-1,
informing double bonds or aromatic
compounds.
(11) In the fingerprint region (600-1500 cm1),
strong signal was found at about 1500
cm-1 (informing aromatic ring). Vinyl-
related compound was also found at
about 1000 cm-1.
Based on the above analysis, the analysis
showed that the material has aromatic ring,
and simple functional bonding (methyl). This
is in a good agreement with the chemical
compound of toluene.
4.2. FTIR analysis of the LR microparticles
FTIR analysis results of saw-milled LR
particles are shown in Figure 4. This figure
shows the change of FTIR peak and pattern.
There is a change in the peaks after the
heating process. Informing there is a change
in the chemical structure. In short, since LR is
vulnerable against heat, this should be the
decomposition of organic component into
carbon material. The change in the FTIR peak
and pattern was found when heating at
temperature that higher than 180°C, in which
the FTIR pattern was near to the carbon as
explained in the literature (Nandiyanto et al.,
2016, Nandiyanto et al., 2017).
Using above interpreting method and
compared to the literature for some organic
material, ftir peaks are shown in Table 2. The
results shows that these peaks contained
several organic materials. This can be used as
a standard ftir peaks for organic materials,
related to protein, carbohydrate, fat, etc.
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Figure 3. Example of FTIR spectra 2. Adopted from: Coates (2000)
Figure 4. FTIR analysis results of saw-milled LR heated with various temperatures
109| Indonesian Journal of Science & Technology,Volume 4 Issue 1, April 2019 Page 97-118
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| p- ISSN 2528-1410 e- ISSN 2527-8045
No Wavenumber Assignment Possible
nutrient type Ref.
Exp. Lit.
1 601 600-608 CH out-of-plane bending
vibrations
Organic material (Chiang et al., 1999)
Ring deformation of phenyl
(Schulz and Baranska,
2007)
2 929** about 930
carbon-related component
Carbon (Nandiyanto et al., 2016,
Nandiyanto et al., 2017)
3 1051 1045-1053 Gives an estimate carbohydrate
concentrations (lower in
malignant cells)
Carbohydrate (Huleihel et al.,
2002,Mordechai et al.,
2001)
C-O-O-C
(Paluszkiewicz and
Kwiatek, 2001)
C-O stretching coupled with C-O
bending of the C-OH of
carbohydrates
(Wang et al., 1997)
Glycogen (Wood et al., 1998)
C-O-C stretching (nucleic acids
and phospholipids), C-O-C
stretching of DNA and RNA
(Fabian et al., 1995)
Indicates a degree of oxidative
damage to DNA
(Andrus and Strickland,
1998)
Phosphate, oligosaccharides,
PO2- stretching modes, P-O-C
antisymmetric stretching mode of
phosphate ester, and C-OH
stretching of oligosaccharides
(Yoshida et al., 1997)
Phosphate I band for two
different C-O vibrations of
deoxyribose in DNA in A and B
forms of helix or ordering
structure
(Dovbeshko et al., 2002)
C-O in carbohydrates (Fung et al., 1996)
Table 2. FTIR peaks identified in LR
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No
Wavenumber
Assignment
Possible nutrient
type
Ref.
Exp.
Lit.
4
1160
1159-
1164
C-O of proteins and
carbohydrates, stretching
modes of the C-OH groups of
serine, threonine, and tyrosine
residues of cellular proteins,
hydrogen-bonded stretching
mode of C-OH groups
Protein (serine,
threosine, and
tyrosine) and
collagen
(Fung et al., 1996)
CO stretching, stretching
vibrations of hydrogen-bonding
C-OH groups
(Wang et al., 1997)
Mainly from the C-O stretching
mode of C-OH groups of serine,
threosine, and tyrosine of
proteins
(Fujioka et al.,
2004)
C-C, C-OH, C-O stretching
(Wong et al., 1993,
Yang et al., 2005)
C-O-C, ring (polysaccharides,
cellulose)
(Shetty et al.,
2006)
CH deformations
(Schulz and
Baranska, 2007)
C-O stretching band of collagen
(type I)
(Fukuyama et al.,
1999)
Mainly from the C-O stretching
mode of C-OH groups of serine,
threosine, and tyrosine of
proteins
(Yang et al., 2005)
n(CC), d(COH), n(CO) stretching
(Lucassen et al.,
1998, Yang et al.,
2005)
C-O stretching (in normal tissue)
(Rigas et al., 1990)
Table 2 (continue). FTIR peaks identified in LR
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| DOI: http://dx.doi.org/10.17509/ijost.v4i1.15806
| p- ISSN 2528-1410 e- ISSN 2527-8045
No Wavenumber Assignment Possible nutrient
type Ref.
Exp. Lit.
5 1233 1230-
1238
Stretching PO2- asymmetric
Protein (Amide III) (Chiriboga et al.,
1998, Dovbeshko
et al., 2002)
Overlapping of the protein
amide III and the nucleic acid
phosphate vibration, composed
of amide III as well as phosphate
vibration of nucleic acids, amide
III
(Chiriboga et al.,
1998)
C-H component
(Schulz and
Baranska, 2007)
Amide III and asymmetric
phosphodiester stretching mode
(PO2-), mainly from the nucleic
acids
(Eckel et al., 2001)
PO2- of nucleic acids (Fung et al., 1996)
Relatively specific for collagen
and nucleic acids
(Andrus and
Strickland, 1998)
Stretching PO2- asymmetric
(phosphate I), PO2- asymmetric
(phosphate I), Stretching PO2-
asymmetric (phosphate I)
(Dovbeshko et al.,
2000)
PO2- asymmetric (Barry et al., 1992)
Asymmetric phosphate [PO2-
(asym.)] stretching modes
(Wang et al., 1997)
Stretching PO2- asymmetric
(Dovbeshko et al.,
2002)
Asymmetric PO2- stretching
(Fukuyama et al.,
1999)
Table 2 (continue). FTIR peaks identified in LR
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p- ISSN 2528-1410 e- ISSN 2527-8045 |
No
Wavenumber
Assignment
Possible nutrient
type
Ref.
Exp.
Lit.
6
1401
1400-
1403
Symmetric stretching vibration
of COO- group of fatty acids and
amino acids
Protein and
Collagen
(Wood et al.,
1996)
CH3 of proteins, symmetric
bending modes of methyl
groups in skeletal proteins, CH3
of collagen
(Fung et al., 1996)
Specific absorption of proteins
(Argov et al.,
2004)
Symmetric stretch of methyl
groups in protein
(Fujioka et al.,
2004, Wood et al.,
1998)
Ring stretching vibrations mixed
strongly with CH in-plane
bending
(Schulz and
Baranska, 2007)
COO2 symmetric stretching of
acidic amino acids aspartate and
glutamate, and fatty acids
(Fabian et al.,
1995)
CH3 symmetric deformation
(Agarwal et al.,
2006)
Symmetric CH3 bending modes
of the methyl groups of proteins
(Fujioka et al.,
2004)
(CH3) symmetric
(Barry et al., 1992,
Fujioka et al.,
2004, Lucassen et
al., 1998, Rigas
and Wong, 1992,
Wu et al., 2001)
Stretching C-N, deformation N-
H, deformation C-H
(Dovbeshko et al.,
2000)
C(CH3)2 symmetric
(Yang et al., 2005)
7
1410**
about
1410
Carbon-related component
carbon
(Nandiyanto et al.,
2016, Nandiyanto
et al., 2017)
Table 2 (continue). FTIR peaks identified in LR
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| DOI: http://dx.doi.org/10.17509/ijost.v4i1.15806
| p- ISSN 2528-1410 e- ISSN 2527-8045
No Wavenumber Assignment Possible nutrient
type Ref.
Exp. Lit.
8 1457 1455-
1458 C-O-H
Protein and
Collagen
(Dovbeshko et al.,
2000)
Less characteristic, due to
aliphatic side groups of the
amino acid residues
(Chiriboga et al.,
1998)
CH3 of proteins, symmetric
bending modes of methyl
groups in skeletal proteins, CH3
of collagen
(Fung et al., 1996)
Asymmetric CH3 bending modes
of the methyl groups of proteins
(Fujioka et al.,
2004)
(CH3) asymmetric
(Fujioka et al.,
2004, Lucassen et
al., 1998, Wong et
al., 1991, Yang et
al., 2005)
CH3 bending vibration (lipids
and proteins)
(Fabian et al.,
1995)
Extremely weak peaks of DNA &
RNA arises mainly from the
vibrational modes of methyl and
methylene groups of proteins
and lipids and amide groups
(Wang et al., 1997)
Asymmetric CH3bending modes
of the methyl groups of proteins
(Fujioka et al.,
2004)
9 1522 1517-
1526 Amide II
Protein (Amide II) (Paluszkiewicz and
Kwiatek, 2001)
Stretching C=N, C=C, C=N
guanine
(Dovbeshko et al.,
2000)
10 1633 1630-
1635 Amide I
Protein (Amide I) (Wood et al.,
1998)
C-C stretch of phenyl
(Schulz and
Baranska, 2007)
C=C uracyl, C=O
(Dovbeshko et al.,
2000)
Amide I (Eckel et al., 2001)
Table 2 (continue). FTIR peaks identified in LR
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p- ISSN 2528-1410 e- ISSN 2527-8045 |
No
Wavenumber
Assignment
Possible nutrient
type
Ref.
Exp.
Lit.
11
1651
1649-
1652
Unordered random coils and
turns of amide I
Protein (Amide I)
(Eckel et al., 2001)
C=O, C=N, N-H of adenine,
thymine, guanine, cytosine
(Dovbeshko et al.,
2002)
O-H bending (water)
(Fabian et al.,
1995)
Amide I absorption
(predominantly the C=O
stretching vibration of the
amide C=O)
(Wood et al.,
1996, Wood et al.,
1998)
Protein amide I absorption,
C2=O cytosine
(Dovbeshko et al.,
2000)
C=O, stretching C=C uracyl, NH2
guanine Peptide amide I
(Andrus, 2006,
Sukuta and Bruch,
1999)
Amide I
(Mordechai et al.,
2004)
12
1747
1745-
1750
Ester group (C=O) vibration of
triglycerides
Fat
(Wu et al., 2001)
C=O, polysaccharides, pectin,
C=C, lipids, fatty Acid
(Shetty et al.,
2006)
13
2332
about
2350
NH component
Amino-related
component
(Nandiyanto et al.,
2018b)
14
2341
about
2350
NH component
Amino-related
component
(Nandiyanto et al.,
2018b)
15
2359
about
2350
NH component
Amino-related
component
(Nandiyanto et al.,
2018b)
16
2857*
2853-
2860
CH2 of lipids, Asymmetric CH2
stretching mode of the
methylene chains in membrane
lipids
Fat
(Fung et al., 1996)
Stretching C-H
(Dovbeshko et al.,
2000)
17
2925
2923-
2930
C-H stretching bands in
malignant and normal tissues
Fat
(Wu et al., 2001)
Stretching C-H
(Dovbeshko et al.,
2000)
CH2 lipids
(Fung et al., 1996)
CH2
(Yang et al., 2005)
18
2958**
2956-
2959
Asymmetric stretching vibration
of CH3 of acyl chains (lipids)
Fat
(Fabian et al.,
1995)
C-H stretching
(Wu et al., 2001)
CH3 of lipids, DNA, and proteins,
asymmetric stretching mode of
the methyl groups from cellular
proteins, nucleic acids, and
lipids
(Fung et al., 1996)
Table 2 (continue). FTIR peaks identified in LR
115| Indonesian Journal of Science & Technology,Volume 4 Issue 1, April 2019 Page 97-118
| DOI: http://dx.doi.org/10.17509/ijost.v4i1.15806
| p- ISSN 2528-1410 e- ISSN 2527-8045
No Wavenumber Assignment Possible nutrient
type Ref.
Exp. Lit.
19 2991** about
3000
Carbon-related component
Carbon (Nandiyanto et al.,
2016, Nandiyanto
et al., 2017)
20 3092 3078-
3111 C-H ring
Organic material (Dovbeshko et al.,
2000)
21 3284** 3273-
3293
Stretching O-H symmetric
Water (Dovbeshko et al.,
2000, Schulz and
Baranska, 2007)
Note: * appeared in the initial raw LR; ** appeared after heating LR with
temperature of more than 180°C
5. CONCLUSION
The present study demonstrated the
simplest ways for understanding FTIR
analysis results. The step-by-step method on
how to read the FTIR data was presented in
detail, including reviewing simple to the
complex organic materials. This study also
tested to the analysis of LR microparticles
since this material has quite complicated
organic structure. To ensure the
effectiveness in the step-by-step reading
procedure, various samples of LR that were
heated at specific temperatures were also
analyzed, since LR is vulnerable against heat.
We believe that this paper can be used as a
basic knowledge for students and beginner
scientists in comprehending and interpreting
FTIR data.
6. ACKNOWLEDGEMENTS
This work was supported by RISTEK
DIKTI.
7. AUTHORS’ NOTE
The author(s) declare(s) that there is no
conflict of interest regarding the publication
of this article. Authors confirmed that the
data and the paper are free of plagiaris.
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