Presented to: Dr HAMEED ULLAH

Assist prof deptt of Chemistry

Hazara University Mansehra

26 DEC 2017
Presented By: ABDUL HAFEEZ 1
Mphil 2nd
X-Rays Diffraction
 Difinition
 Introduction
 Bragg’s law

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 Diffraction
 Definition
- diffraction
(a pattern caused by) a change in the direction of light, water or sound waves
- diffract
to separate light into coloured strips or into light and dark strips
 Definition
Etymology: New Latin diffraction-, diffractio, from Latin diffringere to break apart,
from dis- + frangere to break
- a modification which light undergoes in passing by the edges of opaque bodies
or through narrow slits or in being reflected from ruled surfaces and in which the
rays appear to be deflected and to produce fringes of parallel light and dark or
colored bands; also : a similar modification of other waves (as sound waves)
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History and Introduction
 In June 8, 1912 during the meeting of the German Physical Society at
the University of Berlin a thirty-three years
old physicist Max von Laue announced his discovery of X-ray
diffraction in crystals as in a three-dimensional diffraction
grating.
 Rapid development of physics in pre-war Europe provided the
necessary background for this discovery which, in
turn, solved the problem of the nature of X-rays and sizes of atoms.
 Two English researchers W. H. Bragg and W. L. Bragg,
father and son, used the discovery to confirm Barlow’s hypothetic
model of rock salt, thus initiating the first X-ray diffraction
analysis of single crystals.

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X-RAYS
 Its not possible to see the atom and molecules b/c these
component of matter are so small for us to by the usual
methods.
 Visible light has wavelengths of 4 to 8*10-5 cm and for us
therefore of no use to view the atom.
 The appropriate radiation to use to view atom would be X-
RAYS.with wavelengths in nanometer range.
 Now have to employ X Rays rather than visible light and it
would give us a wonderful chance to seeing their shapes
and how they interact with each other!

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DIFFRACTION OF LIGHT
 It is now necessary to explain the meaning of the term diffraction.
 Diffraction occurs when radiation passes through an aperture that has
dimensions similar to the wavelengths of the radiation;
 As a result some of the radiation appears to be slight deflected and
light in the area expected.
 Earlry study of diffraction were made with diffraction gratings
prepared by scratching fine, parallel line on glass.
 Such grating was used by Francesco Maria Grimaldi in 17th century
and Joseph von Fraunhofer in the early 19th century.they showed that
diffraction involves the constructive and destructive interference of
scattered radiation.

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DIFFRACTION OF X-RAYS
BY CRYSTAL
 Friedrich and Knipping performed the first X-ray diffraction
experiment.
 Use copper sulphate crystal and demonstrated the wavelike nature of
X-rays.
 A beam of X-ray was directed onto the crystal.
 To detect any diffracted X-rays a piece of photographic film was
placed behind the crysal.
 From this arrangement of X-ray source, crystal and detector, they
obtained a diffraction pattern.
 So they conclude that X-rays must be electromagnetic radiation with
wavelength of the order 10-8 cm (1 Angstrom)

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26 DEC 2017 8
 Diffraction of light by slits

 Incoming light is a plane wave

 Slit apertures result in an outgoing spherical wave
 Interference determines the diffraction pattern 9
26 DEC 2017 “Crystal Structure Analysis for Chemists and Biologists”, Glusker, Lewis and Rossi, VCH, 1994.
 Diffraction of light by masks

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26 DEC 2017 “Crystal Structure Analysis for Chemists and Biologists”, Glusker, Lewis and Rossi, VCH, 1994.
 Wave
 Two parallel waves will interact with each other
- called interference
- constructive interference if waves are in phase
- destructive interference if waves are exactly out of phase

 The interaction between waves can be envisioned by addition of

their wave equations

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 Adding wave functions

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“Crystal Structure Analysis for Chemists and Biologists”, Glusker, Lewis and Rossi, VCH, 1994.
 Interference
 For waves with the same frequency and amplitude, we see
constructive interference when two waves have a phase
difference of n,
- called “in phase”

Destructive interference is observed for a phase difference of (n

+ ½),
-called “out of phase”

A phase difference can result from a path difference

-happens in slit experiments
-the same thing happens when X-rays are diffracted by a crystal
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26 DEC 2017
 Bragg’s law
 Reflection of X-rays
from parallel lattice
planes
- families of planes
have equal spacing
 Constructive
interference when
PD = n
 The Laue equations
can be rewritten as
2dhklsinhkl = n
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“Crystal Structure Analysis for Chemists and
26 DEC 2017 Biologists”, Glusker, Lewis and Rossi, VCH, 1994.
 What’s a hole got to do with a crystal?
 The hole scatters the
light rays
 An electron scatters X-
rays
 Imagine a crystal as a
“hole pattern” of
electrons!

“Structure Determination by X-ray Crystallography”, 15

Ladd and Palmer, Plenum, 1994. 26 DEC 2017
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