Fourier Transform Infrared Spectroscopy (FTIR) :

Fourier Transform Infrared Spectroscopy (FTIR) is a technique which is used to

analyze the chemical composition of many organic chemicals, polymers, paints, coatings,
adhesives, lubricants, semiconductor materials, coolants, gases, biological samples,
inorganics and minerals. FTIR can be used to analyze a wide range of materials in bulk
or thin films, liquids, solids, pastes, powders, fibers, and other forms. FTIR analysis can
give not only qualitative (identification) analysis of materials, but with relevant standards,
can be used for quantitative (amount) analysis. FTIR can be used to analyze samples up
to ~11 millimeters in diameter, and either measure in bulk or the top ~1 micrometer layer.
A genuine biophysical method, Fourier transform-infrared (FT-IR) spectroscopy
has become a versatile research tool in biochemistry and biomedicine. Topical
applications in microbiology and prion research are impressive illustrations of the
vigorous evolution of the technique. FT-IR spectroscopy has established itself as a
powerful method for the rapid differentiation and identification of microorganisms, thereby
contributing to both clinical medicine and the prevention of bioterrorism. It has also led to
considerable progress in various other fields of basic research, not least in prion
sciences. In this field, FT-IR spectroscopy has been increasingly applied as a tool for
elucidating structural features of the pathological prion protein, and also to study the
molecular changes induced by prions in neuronal tissue and blood. This article sets out
to give a review of current examples of the analytical potential of FT-IR spectroscopy in
microbiology and prion research.

FTIR Applications Include:

1. Materials Evaluation
Identification of most solid, liquid and gas-phase
organic compounds.

Identification of many liquid and gas-phase inorganic

compounds.

Identification of many crystalline and amorphous

solid inorganics.

Identification of polymers, polymer blends and

multilayer laminates.
2. Failure Analysis
Qualitative composition verification.
Quantitative composition verification.
Coating composition and thickness measurement.
Verification of parts cleanliness.
Solvent purity evaluation.
Optical filter performance verification.
3. Quality Control Screening
Identification of organic deposits on microelectronic packages and devices.
Identification of stains.
Analysis of inclusions in polymers.

 Analysis of delamination problems in laminates and coatings.

Analysis of surface degradation due to heat, aging, or chemical attack.
Analysis of process material degradation or contamination.
Analysis of lubricants, coolants, power transfer fluids and greases for
degradation or contamination

DISCUSSION OF FTIR SPECTRUM

In this experiment our aim was to identfy the unknown sample by studying the peaks
on experiment graph. When we examine the spectra of m-nitroaniline there are
recognizable peaks at approximately ;
3350 cm-1
1550 -1650 cm-1
1250-1350 cm-1
700-900 cm-1
3350 cm-1 is between 3500 cm-1 and 3300 cm-1 could be consistent with N-H bond. NH bending and N-O streching titrations can be seen between 1550 -1650 cm-1 range.
Also we observe that the peak between 1300 cm -1 and 1200 cm-1 could be consistent
with C-N or N-O bond.
Peaks appear between 700-900 cm-1 could be result of N-H out of plane bending.
As a result we concluded that the substitutes for 1 and 3 as NH 2 and NO2 respectively.
The sample is m-nitroanilyne.

DISCUSSION OF IR MASS- NMR SPECTRUM:

3

The goal was to determine the molecular formula of the unknown sample by using
three different spectrum methods.
Firstly on IR spectrum we see that the peak between 3500 cm-1 and 3300 cm-1 is
consistent with N-H tension. We see peaks between 3000 cm -1 and 2800 cm-1 and
these peaks belong to C-H tension, alkanes. And also there are peaks between 1470
cm-1 and 1370 cm-1 and they show C-H tension,alkanes.Then we see peak between
1200 cm-1 and 1100 cm-1 and it belongs to C-N tension. The peak between 750 cm -1
and 700 cm-1 may be belonged to a C-X tension,then we try to check our assumptions.
Secondly,by Mass spectrum we learn that mass of sample is 73 and mass of first
detaching particle is 15. We considered that this difference is probably caused by CH 3
group and as a result we concluded that our guess in IR spectrum was correct. Also by
observing the mass of second detaching particle is 14 we guessed that this is consistent
with CH2 group.The third detaching particle is 14 we guess the particle is consistent with
CH2 group.And finally we absorve a particle which is 30 and we think it may be
CH3NH.Because we had found N-H tension and also C-H tension on IR spectrum.
Finally by NMR spectrum we absorve only one peak between 0.7 and 0.5.It belongs to
N-H.Then we absorve peaks between 3 and 2.5.We think about protons and chemical
shift then we say it belongs to CH3 .And peaks between 1.3 and 0.9 belong to CH 2
.Finally combining all these possibilities we get our unknown sample as
CH3CH2NHCH2CH3.

REFRACTOMETRIC QUALITIVE ANALYSIS:

DATAS: ( at 25 C and 1 bar)
ETHANOL:

molecular weight(M) = 46.06 g/mol

density () = 0.789 g/cm3
nD =1.3619
METHANOL:

molecular weight(M) = 32.04 g/mol

density () = 0.79 g/cm3
nD =1.3290

CHLOROFORM:

molecular weight(M) = 119.38 g/mol

density () = 1.48 g/cm3
nD =1.4254
WATER:

molecular weight(M) = 18.02 g/mol

density () = 1.0 g/cm3
nD =1.3300

Molar Refractions:
C:2.418
O:1.525
Cl:5.967
H:1.100

CALCULATIONS:
Lorentz-Lorenz molar refractivities:
ETHANOL:

R =[(1.36192-1)/( 1.36192+2)](46.06/0.789)=12.94
R' =(2x2.418)+ (1.1x6) +1.525=12.96

METHANOL:
R =[(1.32902-1)/( 1.32902+2)](32.04/0.79)=8.25
R' =2.418+ (1.1x4) +1.525=8.34

CHLOROFORM:
R =[(1.4254 2-1)/( 1.4254 2+2)](119.38 /1.48)=20.64
R' =2.418+1.1+(5.967x3)=21.41

WATER:
R =[(1.332-1)/( 1.33 2+2)](18.02 /1.00)=3.68
R' =1.1+(1.525x2)=4.15

REFERENCES:
http://lib.bioinfo.pl/pmid:17540519
http://www.amazon.com/Transform-Spectroscopy-Comprehensive-AnalyticalChemistry/dp/0444500448
http://www.nyas.org/cgi/reprint/820/1/234.pdf
http://www.testplastic.com/pdfs/ftir-analysis-1107.pdf