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Course10410112467 lectures

Quantum Chemistry of Atoms and Molecules

Prof. Anindya Datta · IIT Bombay

Start with lecture 1 At NPTEL

About

The course introduces students to quantum Chemistry. The syllabus is as follows. Black body radiation. Failure of classical mechanics. Marsden experiment and Rutherford theory. Hydrogen atom spectrum. Bohr Sommerfeld theory. Uncertainty principle. Wave particle duality. Schrodinger equation. Postulates of quantum mechanics. Born approximation. Origin of quantization: Particle in a box, particle in a ring. Hydrogen atom. Atomic orbitals. Many electron atoms. Introduction to spin. Slater determinants. Self consistent fields. Valence bond and molecular orbital theories. Molecular orbitals of homonuclear and heteronuclear diatomic molecules. VSEPR. Molecular orbital and Valence bond approaches to polyatomic molecules. Hybrid orbitals. Huckel theory. Introduction to approximation methods. Scope of further study.

INTENDED AUDIENCE : Chemistry, Physics, 1st year Engineering

Lectures

Week 1

  1. Lecture 1 : Basic Introduction YouTube
  2. Lecture 2 : Bohr Model and Beyond… YouTube
  3. Lecture 3 : The wave nature of matter YouTube
  4. Lecture 4 : Ground Rules: Postulates of Quantum mechanics : Part I YouTube
  5. Lecture 5 : Ground Rules: Postulates of Quantum mechanics : Part II YouTube

Week 2

  1. Lecture 6 : Particle in a box: Part I YouTube
  2. Lecture 7 : Particle in a box: Part II YouTube
  3. Lecture 8 : Particle in a box: Part III YouTube
  4. Lecture 9 : Particle in a box: Uncertainity Priciple YouTube
  5. Lecture 10 : Particle in a box: Uncertainity Priciple- Continued YouTube
  6. Lecture 11 : Quantum Mechanical Tunneling YouTube

Week 3

  1. Lecture 12 : Harmonic Oscillator: Part 1 YouTube
  2. Lecture 13 : Harmonic Oscillator: Part 2 YouTube
  3. Lecture 14 : Harmonic Oscillator: Part 3 YouTube
  4. Lecture 15 : Harmonic Oscillators: Wave Functions and Recursion formulae YouTube
  5. Lecture 16 : Harmonic Oscillators: Wave Functions and Recursion formulae…..Continued YouTube
  6. Lecture 17 : Harmonic Oscillators: Conclusions YouTube

Week 4

  1. Lecture 18 : Rigid Rotor: Part 1 YouTube
  2. Lecture 19 : Rigid Rotor: Part 2 YouTube
  3. Lecture 20 : Rigid Rotor: Part 3 YouTube
  4. Lecture 21 : Polar Plots of Spherical Harmonics YouTube
  5. Lecture 22 : Angular Momentum YouTube
  6. Lecture 23 : Angular Momentum…Continued YouTube

Week 5

  1. Lecture 24 : Hydrogen Atom: Schrodinger Equation YouTube
  2. Lecture 25 : Hydrogen Atom: Schrodinger Equation….Continued YouTube
  3. Lecture 26 : Hydrogen atom: Quantum numbers YouTube
  4. Lecture 27 : Radial Probability distribution functions YouTube
  5. Lecture 28 : Hydrogen atom wavefunctions: s orbitals YouTube
  6. Lecture 29 : 2s orbital YouTube
  7. Lecture 30 : 2p orbitals YouTube
  8. Lecture 31 : 3pz and 3d orbitals YouTube

Week 6

  1. Lecture 32 : Atomic orbitals and orbital approximation YouTube
  2. Lecture 33 : Multi electron atoms YouTube
  3. Lecture 34 : He atom wavefunction YouTube
  4. Lecture 35 : Excited states of many electron atoms YouTube

Week 7

  1. Lecture 36 : Introduction to Perturbation theory YouTube
  2. Lecture 37 : Scope of Perturbation theory YouTube
  3. Lecture 38 : Application of Perturbation theory: Anharmonic oscillator YouTube
  4. Lecture 39 : Higher order perturbations YouTube
  5. Lecture 40 : Perturbation theory for non-degenerate states YouTube
  6. Lecture 41 : Perturbation Theory for degenerate states YouTube
  7. Lecture 42 : Application of Perturbation Theory for degenerate States YouTube

Week 8

  1. Lecture 43 : Variation Method YouTube
  2. Lecture 44 : Variational Method- Continued…. YouTube
  3. Lecture 45 : Variational calculations for Harmonic Oscillator and Particle in a Box YouTube
  4. Lecture 46 : Secular equations in Variational calculations YouTube
  5. Lecture 47 : Secular equations for particle in a box YouTube
  6. Lecture 48 : Variational calculation for particle in a box…..continued YouTube

Week 9

  1. Lecture 49 : Perturbation theory for many electron atoms YouTube
  2. Lecture 50 : Variational method for many electron atoms YouTube
  3. Lecture 51 : Hartree-Fock Equations and Self Consistent Fields YouTube
  4. Lecture 52 : Hartree-Fock Equations for He YouTube
  5. Lecture 53 : Hartree-Fock Equations for He: Part2 YouTube
  6. Lecture 54 : Electronic Wavefunctions of He atom YouTube

Week 10

  1. Lecture 55 : Valance Bond Theory and homonuclear diatomics: Part1 YouTube
  2. Lecture 56 : Valance Bond Theory and homonuclear diatomics: Part2 YouTube
  3. Lecture 57 : Molecular shape and hybrid orbitals YouTube
  4. Lecture 58 : sp2 hybridization YouTube
  5. Lecture 59 : sp3 hybridization YouTube

Week 11

  1. Lecture 60 : Non-equivalent hybrid orbitals YouTube
  2. Lecture 61 : Molecular Orbital Theory for H2+ YouTube
  3. Lecture 62 : Molecular orbital theory for homonuclear diatomic molecules YouTube
  4. Lecture 63 : Beyond Homonuclear diatomic molecules YouTube
  5. Lecture 64 : MOT for polyatomic molecules YouTube

Week 12

  1. Lecture 65 : Huckel MOT-1 YouTube
  2. Lecture 66 : Huckel MOT-2 YouTube
  3. Lecture 67 : The last word YouTube

Syllabus and materials

At NPTEL, as the course publishes them.

Credits and licence

Institution
IIT Bombay
Department
Chemistry and Biochemistry
Teacher
Prof. Anindya Datta
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.
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