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Course10410609362 lectures

Chemical Crystallography

Prof. Angshuman Roy Choudhury · IISER Mohali

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About

This course would highlight the concepts and applications of widely used experimental technique of X-ray crystallography. The could would take the students through the lane of crystallographic symmetry to the structure determination and refinement of crystal structures using x-ray diffraction. Any experimental organic or inorganic chemist would be benefited from this course.

INTENDED AUDIENCE : PhD students and 2nd year M.Sc students

PREREQUISITES : Basic knowledge about molecular symmetry

INDUSTRY SUPPORT : Pharmaceutical industry

Lectures

Week 1 - Basics, Symmetry and Equivalent Points in Crystallography

  1. Introduction to X-Ray Crystallography YouTube
  2. Sources of X-Rays, Crystal Systems and Bravais lattices YouTube
  3. Crystallographic Symmetries YouTube
  4. Equivalent Points and 1D Lattices YouTube
  5. 5 Fold Symmetry and 2D Lattices YouTube

Week 2 - Crystallographic Point Groups and Space Groups

  1. 2D Space Lattices YouTube
  2. Crystallographic Point Groups YouTube
  3. Stereographic Projections of Point Groups YouTube
  4. Understanding of Crystallographic Space Groups YouTube
  5. 2D Projection of Space Groups YouTube
  6. Tutorial 01 YouTube

Week 3 - Understanding of Space Groups and Miller Indices

  1. 3D Space Groups and Equivalent Points YouTube
  2. Obtaining Equivalent Points by Shifting of Origin YouTube
  3. Representation of Orthorhombic and Tetragonal Space Groups YouTube
  4. Stereographic Representation of Tetragonal (P and I) Space Groups YouTube
  5. Tutorial 02 YouTube

Week 4 - Theoretical Understanding of Crystal Packing and X-Ray Diffraction in Direct and Reciprocal Space

  1. Miller Indices for Crystallographic Directions and Planes YouTube
  2. Miller Indices and Planar Densities YouTube
  3. Cubic Structues and atomic packing factors YouTube
  4. Ceramic Structures YouTube
  5. Theory of X-Ray Diffraction YouTube
  6. Tutorial 03 YouTube

Week 5

  1. Origin of Reciprocal Lattice YouTube
  2. Bragg's Law in Reciprocal Lattice and Origin of Systematic Absences YouTube
  3. Systematic Absences and Crystallisation Methods YouTube
  4. Special Method of Crystallisation YouTube
  5. Tutorial YouTube

Week 6

  1. Single Crystal X-Ray Diffraction Data Collection YouTube
  2. Diffractometers YouTube
  3. Diffractometers and Detectors YouTube
  4. Laue's and Bragg's Analysis YouTube
  5. Experimental Methods and Theoretical Understanding of X-Ray Diffraction YouTube

Week 7

  1. Derivation of Friedel's Law from Structure Factor by Vector Space Diagram YouTube
  2. Structure Factor and Electron Density YouTube
  3. Systematic absence conditions from special structure factor expression YouTube
  4. Systematic Absence Conditions from Special Structure Factor Expression YouTube
  5. Single Crystal X-Ray Diffractometer YouTube

Week 8

  1. Understanding the X-Ray Data YouTube
  2. Data Handling (Solution and Refinement) using Various Crystallographic Packages YouTube
  3. Structure Solution using Apex II (Bruker Diffractometer) YouTube
  4. Structure Solution using Olex 2 (Rigaku Diffractometer) YouTube
  5. Structure Refinement YouTube
  6. Cambridge Structure Database and its Application YouTube

Week 9

  1. Data Reduction-Absorption Correction YouTube
  2. Data Reduction-Lorentz and Polarization Correction YouTube
  3. Data Reduction- Scale and Temperature Factor YouTube
  4. Identification from Intensity Statistics the Correct Crystal System and Presence of Inversion Center YouTube
  5. Identification from Intensity Statistics the presence of 2 fold axis in Lattice YouTube

Week 10

  1. Phase Problem YouTube
  2. Direct Methods - Part 01 YouTube
  3. Direct Methods - Part 02 YouTube
  4. Sigma 1 and Triplet Relationship YouTube
  5. Patterson Method YouTube

Week 11

  1. Powder X-Ray Diffractometer -Theory YouTube
  2. Powder X-Ray Diffractometer -Lab YouTube
  3. Disorders in Crystal Structures YouTube
  4. Theoretical Understanding of the Treatment of Disordered Structures YouTube
  5. Disorder Treatment using Olex 2 YouTube

Week 12

  1. Indexing of PXRD using Debye - Scherrer Method YouTube
  2. SCXRD Data Processing with more than one Single Crystal or a Cracked Crystal YouTube
  3. Polymorphs - 1 YouTube
  4. Polymorphs - 2 YouTube

Syllabus and materials

At NPTEL, as the course publishes them.

Credits and licence

Institution
IISER Mohali
Department
Chemistry and Biochemistry
Teacher
Prof. Angshuman Roy Choudhury
Level
Undergraduate
Language
English
Subjects
Chemistry
Source
NPTEL
Licence
CC BY-NC-SA, as NPTEL states it. Non-commercial use only. NPTEL's terms
Attribution
NPTEL states: "Distributed under Creative Commons Attribution-ShareAlike / CC BY - NC - SA", beside a BY-NC-SA badge. Coordinated by IIT Madras.
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