Quantum Chemistry of Atoms and Molecules

By Prof. Anindya Datta | IIT Bombay

Learners enrolled: 1831

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

PREREQUISITES : None

INDUSTRIES SUPPORT : None

Summary

Course Status :	Completed
Course Type :	Elective
Duration :	12 weeks
Category :	Chemistry
Credit Points :	3
Level :	Undergraduate
Start Date :	14 Sep 2020
End Date :	04 Dec 2020
Enrollment Ends :	25 Sep 2020
Exam Date :	19 Dec 2020 IST

Note: This exam date is subjected to change based on seat availability. You can check final exam date on your hall ticket.

Page Visits

Course layout

Week 1: Black body radiation. Failure of classical mechanics. Marsden experiment and Rutherford theory.

Week 2: Hydrogen atom spectrum. Bohr Sommerfeld theory. Uncertainty principle. Wave particle duality.

Week 3: Schrodinger equation. Born approximation.

Week 4: Postulates of quantum mechanics. Introduction to operator algebra.

Week 5: Origin of quantization: Particle in a box, particle in a ring.

Week 6: Hydrogen atom.

Week 7: Atomic orbitals. Orbital approximation and its limitation. Effective nuclear charge.

Week 8: Introduction to spin. Slater determinants. Self consistent fields.

Week 9: Valence bond and molecular orbital theories. Molecular orbitals of homonuclear and heteronuclear diatomic molecules.

Week 10:VSEPR. Molecular orbital and Valence bond approaches to polyatomic molecules. Hybrid orbitals.

Week 11: Huckel theory.

Week 12:Introduction to approximation methods. Scope of further study.

Books and references

1. Physical Chemistry, Macquarie and Simon

2. Physical Chemistry, P. W. Atkins

3. Quantum Chemistry, Pilar
4. Elelmentary Quantum Chemistry, 2nd ed., Frank L. Pilar, Dover Publications 2001
5. Quantum Chemistry, 1st Indian Edition 2003, D. A. McQuarrie, Viva Books Pvt. Ltd.
6. Introduction to Quantum Chemistry 2nd Edition, 2018, David J. Griffiths, Pearson

Instructor bio

Prof. Anindya Datta

IIT Bombay

I am a Professor of Chemistry in IIT Bombay, with research interest in ultrafast spectroscopy and time resolved fluorescence microscopy. I have teaching experience of 17 years. 14 Ph. D. students have graduated from our laboratory. Eight more are working towards their degree. I received Excellence in Teaching Award from our institute in 2017 and have taught two NPTEL courses: one on Molecular Spectroscopy and another on Symmetry in Chemistry.

Course certificate

•The course is free to enroll and learn from. But if you want a certificate, you have to register and write the proctored exam conducted by us in person at any of the designated exam centres.

•The exam is optional for a fee of Rs 1000/- (Rupees one thousand only).

• Date and Time of Exams: 19 December 2020, Morning session 9am to 12 noon; Afternoon Session 2pm to 5pm.

•Registration url: Announcements will be made when the registration form is open for registrations.

• The online registration form has to be filled and the certification exam fee needs to be paid. More details will be made available when the exam registration form is published. If there are any changes, it will be mentioned then.

•Please check the form for more details on the cities where the exams will be held, the conditions you agree to when you fill the form etc.

CRITERIA TO GET A CERTIFICATE:

• Average assignment score = 25% of average of best 8 assignments out of the total 12 assignments given in the course.

• Exam score = 75% of the proctored certification exam score out of 100

•Final score = Average assignment score + Exam score

YOU WILL BE ELIGIBLE FOR A CERTIFICATE ONLY IF AVERAGE ASSIGNMENT SCORE >=10/25 AND EXAM SCORE >= 30/75.

•If one of the 2 criteria is not met, you will not get the certificate even if the Final score >= 40/100.

• Certificate will have your name, photograph and the score in the final exam with the breakup.It will have the logos of NPTEL and IIT Bombay. It will be e-verifiable at nptel.ac.in/noc.

•Only the e-certificate will be made available. Hard copies will not be dispatched.