TECHNICAL UNIVERSITY OF MOMBASA

NAME:JEFFERSON NDUNGU KAGIRI

APPLIED PHYSICS
REG:BTAP/025J/2013
SPECTROSCOPY ASSIGNMENT
1. Discuss the theory and principle of the following and list applications,
disadvantages and advantages.
1. Nuclear magnetic resonance
NMR or nuclear magnetic resonance spectroscopy is a technique used to determine
a compounds unique structure. It identifies the carbon-hydrogen framework of an
organic compound. Using this method and other instrumental methods including
infrared and mass spectrometry, scientists are able to determine the entire
structure of a molecule.
a) Principles
The perturbation of this alignment of the nuclear spins by employing an
electromagnetic usually radio frequency pulse .The required perturbing frequency is
dependent upon the static magnetic field and the nuclei of observation.
The alignment of the magnetic nucleus spins in an applied constant magnetic field.
b) Applications
Used to analyze samples nondestructively e.g. RNA, DNA and Proteins
Used in data acquisition in the petroleum industry for petroleum industry for
petroleum and natural gas exploitation.
Used to measure rock porosity during borehole analysis.
Used in magnetic resonance imaging for medical diagnosis and magnetic
resonance microscopy.
Used for structural determination and purity determination providing that the
structure and molecular weight of the compound is known.
c) Advantages
Several types of information from lots of type of experiments.
They obtain angles, distances, coupling constants, chemical shifts, rate
constants.

 With a suitable computer apparatus one can calculate a whole 3D structure.

Motion of segments can be examined.
Able to investigate the influence of the dielectric constant, the polarity and
any other properties of the solvent or some added material.
d) Disadvantages
The resolving power of NMR is less than some other type of experiments
(e.g.: X-ray crystallography) since the information got from the same material
is much more complex.
We have lots of atoms and a lot of extracted data from a system.
Only able to determine the degree of probability of being of the protein
segment in a given conformation.
The cost of the experimental implementation is increasing with the higher
strength and the complexity of the determination.

2. Fourier Transform Infrared spectroscopy

Used to obtain an infrared spectrum of absorption emission photoconductivity or
Raman scattering of solids, liquids or gases.
a. Principle
Relies on the fact that most molecules absorb light in the infrared region of the
electromagnetic spectrum.
The absorption corresponds specifically to the bond present in the molecules. The
frequency ranges are measured as wave numbers typically over the range 4000600 cm-1.
Background emission of the infrared sources is recorded first then the emission
spectrum follows of the samples in place.
The ratio of the sample spectrum to the background spectrum is directly related to
the samples absorption spectrum.
The resultant absorption spectrum from the bond vibration frequency indicates the
presence of various chemical bonds and functional group present in the sample.
b. Applications

 Identification of simple mixtures of organic and inorganic compounds both as

solids or liquids.
Identification of polymers and polymer blends.
Indirect verification of trace organic contaminants on surfaces.
Routine qualitative and quantitative FTIR Analysis.
Thin film analysis.
Analysis of adhesives, coatings and adhesion promotes or coupling agents.
Small visible particle chemical analysis.
Analysis of stains and surface blemishes remnants from cleaning and
degreasing process combined with optical microscopy, XPS and SIMS
spectroscopy.

c. Advantages
Increases sensitivity as one second scan can be co-added together to ratio
our random noise.
It is mechanically simple with only one moving part that is the mirror.
Increased speed that is one scan per second.
Provides a precise measurement method which requires no external
calibration.
It is a nondestructive technique of amassing objects and elements.
Easy identification of organic and inorganic compounds.
Can identify even the smallest concentration of contaminants.
Has laser beams for self-calibration to ensure accuracy.

d. Disadvantages

3. Raman spectroscopy
Raman spectroscopy is a spectroscopic technique used to observe vibrational,
rotational, and other low-frequency modes in a system. [1] Raman spectroscopy is
commonly used in chemistry to provide a fingerprint by which molecules can be
identified.
a. Theory
The Raman Effect occurs when electromagnetic radiation impinges on
a molecule and interacts with the polarizable electron density and the bonds of the
molecule in the phase (solid, liquid or gaseous) and environment in which the
molecule finds itself. For the spontaneous Raman effect, which is a form of
inelastic light scattering, a photon (electromagnetic radiation of a specific
wavelength) excites (interacts with) the molecule in either the ground rovibronic
state (lowest rotational and vibrational energy level of the ground electronic state)
or an excited rovibronic state. This results in the molecule being in a socalled virtual energy state for a short period of time before an inelastically scattered
photon results. The resulting inelastically scattered photon which is
"emitted"/"scattered" can be of either lower (Stokes) or higher (anti-Stokes) energy
than the incoming photon. If the final vibrational state of the molecule is more
energetic than the initial state, the in elastically scattered photon will be shifted to a
lower frequency for the total energy of the system to remain balanced. This shift in
frequency is designated as a Stokes shift. If the final vibrational state is less
energetic than the initial state, then the inelastically scattered photon will be shifted
to a higher frequency, and this is designated as an anti-Stokes shift. (Raman
scattering intensity as a function of the Stokes and anti-Stokes frequency shifts) is
dependent on the rovibronic (rotational and vibrational energy levels of the ground
electronic state) states of the sample. This dependence on the electric dipoleelectric dipole polarizability derivative differs from infrared spectroscopy where the

interaction between the molecule and light is determined by the electric dipole
moment derivative, the so-called atomic polar tensor (APT); this contrasting feature
allows one to analyze transitions that might not be IR active via Raman
spectroscopy, as exemplified by the rule of mutual exclusion in centrosymmetric
molecules. Bands which have large Raman intensities in many cases have weak
infrared intensities and vice versa

b. APPLICATIONS
Pharmaceutical
Carbon & Diamond
Material Science
Gemology, Geology & Mineralogy
Forensic Science
Art and Heritage
Nanotechnology
Semiconductors
Biological, Biomedical

c. Advantages of Raman spectroscopy

Can be used with solids and liquids

No sample preparation needed
Not interfered by water
Non-destructive
Highly specific like a chemical fingerprint of a material
Raman spectra are acquired quickly within seconds
Samples can be analyzed through glass or a polymer packaging
Laser light and Raman scattered light can be transmitted by optical fibers

over long distances for remote analysis

Raman spectra can be collected from a very small volume (< 1 m in
diameter)

 Inorganic materials are normally easier analyzed by Raman than by

infrared spectroscopy

d. Disadvantages
Cannot be used for metals or alloys.
The Raman Effect is very weak. The detection needs a sensitive and highly
optimized instrumentation
Fluorescence of impurities or of the sample itself can hide the Raman
spectrum
Sample heating through the intense laser radiation can destroy the
sample or cover the Raman spectrum.

4. Laser spectroscopy
Laser spectroscopy has led to advances in the precision with which spectral line
frequencies can be measured, and this has fundamental significance for our
understanding of basic atomic processes. This precision has been obtained by
passing two laser beams through the absorption sample in opposite directions,
selectively triggering absorption only in those atoms that have a zero velocity
component in the direction of the beams. This effectively eliminates the Doppler
broadening of spectral lines from the distribution of atomic velocities present in the
sample.
a. APPLICATION OF LASER
Heat Treatment
Heat treating with lasers allows selective surface hardening against wear with little
or no distortion of the component
Photochemistry
Some laser systems, through the process of mode locking, can produce extremely
brief pulses of light - as short as picoseconds or femtoseconds (10 12 1015 seconds). Such pulses can be used to initiate and analyse chemical reactions,
a technique known as photochemistry

 Laser barcode scanner

Laser barcode scanners are ideal for applications that require high speed reading of
linear codes or stacked symbols. laser barcode scanners for industrial use, Micro
scan offers a wide range of quality products to read linear barcodes and stacked
symbols, with features such as high speed reading, wide field of view, symbol
reconstruction, and aggressive decoding technology.
Laser cooling[
A technique that has recent success is laser cooling. This involves atom trapping, a
method where a number of atoms are confined in a specially shaped arrangement
of electric and magnetic fields. Shining particular wavelengths of laser light at the
ions or atoms slows them down, thus cooling them. As this process is continued,
they all are slowed and have the same energy level, forming an unusual
arrangement of matter known as a BoseEinstein condensate.
Nuclear fusion
Some of the world's most powerful and complex arrangements of multiple lasers
and optical amplifiers are used to produce extremely high intensity pulses of light of
extremely short duration.
Nuclear fusion
Some of the world's most powerful and complex arrangements of multiple lasers
and optical amplifiers are used to produce extremely high intensity pulses of light of
extremely short duration.
Military[edit]
Military uses of lasers include applications such as target designation and ranging,
defensive countermeasures, communications and directed energy weapons.
In material processing, lasers with average optical power above 1 kilowatt are used
mainly for industrial materials processing applications
Entertainment and recreation[edit]

 Laser lighting displays accompany many music concerts

In laser printers: gas and diode lasers play a key role in manufacturing high

resolution printing plates and in image scanning equipment.

Laser line levels are used in surveying and construction. Lasers are also used

for guidance for aircraft.

In dentistry for caries removal, endodontic/periodontic procedures, tooth

whitening, and oral surgery

Cosmetic surgery (removing tattoos, scars, stretch marks, sunspots, wrinkles,
birthmarks, and hairs)
The laser has in most firearms applications been used as a tool to enhance
the targeting of other weapon systems
Laser guidance is a technique of guiding a missile or other projectile or
vehicle to a target by means of a laser beam
b. Disadvantages
It is subject to variation in the laser spark and resultant plasma which often
limits reproducibility
The accuracy of LIBS measurements is typically better than 10%
and precision is often better than 5%
The detection limits for LIBS vary from one element to the next depending on
the specimen type and the experimental apparatus used.
c. Advantages
The detection limits for LIBS vary from one element to the next depending on
the specimen type and the experimental apparatus used. His is of major
significance as fiber optics can be employed for remote analyses.
It is non-invasive, non-contact and can even be used as a stand-off analytical
technique when coupled to appropriate telescopic apparatus. These
attributes have significance for use in areas from hazardous environments to
space exploration
LIBS is also a very rapid technique giving results within seconds, making it
particularly useful for high volume analyses or on-line industrial monitoring.
Its ability to depth profile a specimen by repeatedly discharging the laser in
the same position, effectively going deeper into the specimen with each shot.
This can also be applied to the removal of surface contamination, where the
laser is discharged a number of times prior to the analyzing shot

 With specialized optics or a mechanically positioned specimen stage the laser

can be scanned over the surface of the specimen allowing spatially resolved
chemical analysis and the creation of 'elemental maps'. This is very
significant as chemical imaging is becoming more important in all branches of
science and technology.
LIBS does not use ionizing radiation to excite the sample, which is both penetrating
and potentially carcinogenic.
d. THEORY
is a type of atomic emission spectroscopy which uses a highly energetic laser pulse
as the excitation source. The laser is focused to form plasma, which atomizes and
excites samples.
e. PRINCIPLE
LIBS can analyze any matter regardless of its physical state, be it solid, liquid or
gas. Because all elements emit light of characteristic frequencies when excited to
sufficiently high temperatures, LIBS can (in principle) detect all elements, limited
only by the power of the laser as well as the sensitivity and wavelength range of the
spectrograph & detector. If the constituents of a material to be analyzed are known,
LIBS may be used to evaluate the relative abundance of each constituent element,
or to monitor the presence of impurities.
f. HOW IT WORKS
LIBS operates by focusing the laser onto a small area at the surface of the
specimen; LIBS makes use of optical emission.

5. X-ray

X-ray is a surface-sensitive quantitative spectroscopic technique that measures the elemental

composition at the parts per thousand range, empirical formula, chemical state and electronic
state of the elements that exist within a material. XPS spectra are obtained by irradiating a
material with a beam of X-rayswhile simultaneously measuring the kinetic energy and number
of electrons that escape from the top 0 to 10 nm of the material being analyzed

a. Theory

XPS is a surface chemical analysis technique that can be used to analyze the surface
chemistry of a material in its as-received state, or after some treatment,for example ion
beam etching to clean off some or all of the surface contamination (with mild ion etching) or
to intentionally expose deeper layers of the sample (with more extensive ion etching) in
depth-profiling XPS, exposure to heat to study the changes due to heating, exposure to
reactive gases or solutions, exposure to ion beam implant, exposure to ultraviolet light. XPS
is routinely used to analyze inorganic compounds, metal
alloys, semiconductors, polymers, elements, catalysts, glasses, ceramics, paints, papers, in
ks, woods, plant parts, make-up, teeth, bones, medical implants, bio-materials,
viscous oils, glues, ion-modified materials and many others.
b. Principle

X-ray photoelectron spectroscopy (XPS), also known as ESCA (electron spectroscopy for
chemical analysis) provides both elemental and chemical state information virtually without
restriction on the type of material which can be analysed. The sample is illuminated with x-rays monochromatic or unfiltered Al K or Mg K - and photoelectrons are emitted from the surface.
The kinetic energy of these emitted electrons is characteristic of the element from which the
photoelectron originated. The position and intensity of the peaks in an energy spectrum provide
the desired chemical state and quantitative information
c. Application
Surface analysis of organic and inorganic materials

Determining composition and chemical state information from surfaces

Depth profiling for thin film composition
Thin film oxide thickness measurements