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X-Ray Diffraction: Techniques & Applications

X-ray diffraction (XRD) is a non-destructive analytical technique used to determine the atomic structure of crystals by analyzing the interference patterns of X-rays. The document details the instrumentation involved in XRD, including the production of X-rays, collimators, monochromators, and detectors, as well as its various applications in identifying crystalline phases, measuring structural properties, and analyzing complex structures like penicillin. Additionally, it references the mathematical principles behind XRD, such as Bragg's Law, and lists relevant literature for further reading.

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41 views21 pages

X-Ray Diffraction: Techniques & Applications

X-ray diffraction (XRD) is a non-destructive analytical technique used to determine the atomic structure of crystals by analyzing the interference patterns of X-rays. The document details the instrumentation involved in XRD, including the production of X-rays, collimators, monochromators, and detectors, as well as its various applications in identifying crystalline phases, measuring structural properties, and analyzing complex structures like penicillin. Additionally, it references the mathematical principles behind XRD, such as Bragg's Law, and lists relevant literature for further reading.

Uploaded by

Shital
Copyright
© © All Rights Reserved
We take content rights seriously. If you suspect this is your content, claim it here.
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Download as PPTX, PDF, TXT or read online on Scribd

X-RAY DIFFRACTION

1
LIST OF CONTENT:
• INTRODUCTION
• INSTRUMENTATION:
-Production of X-rays
-Collimator
-Monochromator
-Detector
• APPLICATION
• REFERENCE
• It is a novel & non destructive method of
chemical analysis and a variety of x –ray
techniques are available in practice.
• These are :X – ray Absorption
X-ray diffraction
X-ray Fluorescence
• Definition :
The atomic planes of a crystal cause an incident beam
of X-rays to interfere with one another as they leave the
crystal. The phenomenon is called X-ray diffraction.
Bragg’s Law and Diffraction:
• How waves reveal the atomic structure of
crystals
N ƛ = 2d sinθ
N = integer
 Bragg’s equation is a negative law
 If Bragg’s eq. is NOT satisfied  no reflection can occur
 If Bragg’s eq. is satisfied  reflection may occur
 Diffraction = Reinforced Coherent Scattering
Instrumentation:

• Production of X-rays:
X-rays are produced whenever high-speed electrons
collide with a metal target.
Collimator:
• Collimator system is used for achieving a
narrow beam of X-rays.
• X-rays are allowed to pass through collimator.
Monochromator:
• Two methods are available:
1)Filter
2)crystal monochromator
Filter: A filter is a window of material that
absorbs undesirable radiation but allows the
radiation of required wavelength to pass.
eg. zirconium filter which is used for
molybdenium radiation.
• Crystal monochromator :
It is made up of a
suitable crystalline material positioned in the X-
ray beam so that angle of reflecting planes
satisfied the bragg’s equation for required
[Link] flat crystal monochromator.
Detectors:
• 1) Photographic methods

• 2) counter methods:
-Geiger muller counter
-Scintillation detector
- propertional counter
• Geiger muller tube counter:
• Scintillation counter:
A Modern Automated X-ray Diffractometer

X-ray Tube Detector

Sample stage

Cost: $560K to 1.6M


Applications of XRD
• XRD is a non destructive technique to identify crystalline phases and
orientation
- Obtain XRD pattern ; Measure d-spacings ; Obtain integrated
intensities ;

• To determine structural properties:


- Lattice parameters (10-4Å),, grain size, composition, prefer
strained orientation (Laue) order-disorder transformation, thermal
expansion
• To measure thickness of thin films and multi-layers*
• To determine atomic arrangement
• Detection limits: ~3% in a two phase mixture; can be ~0.1% with synchrotron
radiation
Spatial resolution: normally none
Applications of XRD
• The electron density and accordingly, the position of the atoms in
complex structures, such as penicillin may be determined from a
comprehensive mathematical study of the x-ray diffraction pattern.

• The elucidation of structure of penicillin by xrd paved the way for the
later synthesis of penicillin.

• The powder xrd pattern may be thought of as finger print of the single
crystal structure, and it may be used conduct qualitative and
quantitative analysis.

• Xrd can also be used to determine whether the compound is solvated


or not
Applications of XRD
• Particle size determination by applying the relation.
v= V. δθ. cos θ / 2n
Where v = the volume or size of an individual crystalline
V= the total volume of the specimen irradiated
n = the number of spots in a deffraction ring at a Bragg
angle θ δθ = the divergence of the X –ray beam
• Determination of Cis-Trans isomerism
• It is used to assess the weathering and degradation of natural
and synthetic , minerals.
• Tooth enamel and dentine have been examined by xrd.
• State of anneal in metals
References:

• Text book of Instrumental analysis by skoog,Holler,and


crouch,2007 Edition from [Link] 2.303 to 2.339.
• Pictures and diagram are taken from Google images.
Thank you.

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