Details of CH2201 (Spring 2025)
| Level: 2 | Type: Theory | Credits: 3.0 |
| Course Code | Course Name | Instructor(s) |
|---|---|---|
| CH2201 | Fundamentals of Spectroscopy | Pradipta Purkayastha |
| Syllabus |
|---|
| 1. Introduction: Electromagnetic radiation, Born-Oppenheimer approximation, Schrdinger wave
equation, general condition of resonance, molecular spectroscopy and spectral regions, spectrum and basic elements of an absorption spectrometer, spectral broadening, transition probability, Boltzmann Distribution Law and population in the energy states, average lifetime of the excited state, concentration and path length of sample, Fourier transform 2. Atomic Structure and Atomic Spectra: Introduction, history and experimental results of atomic spectrum, spectra of alkali metals, quantum mechanical model of atom, hydrogen atom, wavefunction and probability, atomic quantum numbers, shapes of the orbitals, energy of atomic orbitals, transitions and spectra, fine (multiplet) structure of atomic terms, designation of atomic terms, hyperfine structure of spectral terms, intensity of spectral lines, atomic spectra (H-atom), one electron system, two electron system, normal Zeeman effect, anomalous Zeeman effect, Stark effect 3. Rotational Spectroscopy: Introduction, diatomic molecules as rigid rotator, quantum restrictions on rotation of diatomic molecule, rotational angular momentum, rotational energy levels, rotational spectrum and bond lengths of diatomic molecules, thermal distribution of rotational quantum states, effect of isotopes on the rotational spectrum, non-rigid rotator, polyatomic molecules: linear molecules, energy levels and spectra, spherical top molecules, symmetric top molecules, microwave spectrometer, applications of microwave spectroscopy 4. Vibrational spectroscopy: Introduction, diatomic molecules, vibrational energy levels, the simple harmonic oscillator, wave functions of harmonic oscillator, mechanism of absorption of infrared radiation by molecules,: gross selection rule, spectrum, intensity or thermal population distribution, the anharmonic oscillator: energy levels, spectrum, hot vibronic bands, rotational- vibrational spectrum: energy levels, selection rule, spectrum, calculation of the rotational constants, dissociation energy of diatomic molecules, vibrational motions in polyatomic molecules: overtones and combination bands, Fermi resonance, vibrational coupling, rotational- vibrational spectra, applications of IR spectroscopy 5. Raman Spectroscopy: Introduction, classical theory of Raman scattering, geometrical distribution of three dimensional polarizability, vibrational and rotational Raman spectrum, quantum theory of Raman scattering, general selection rule for Raman scattering, Raman spectra of diatomic molecules: selection rules for pure rotational spectra, transition between two levels, effect of nuclear spins, spherical top and asymmetric top molecules, vibrational Raman spectra of diatomic molecules: pure vibrational Raman spectra, transition between two vibrational states, applications of Raman spectroscopy 6. Electronic spectroscopy: Introduction, classification of electronic states: orbital angular momentum, spin angular momentum, total angular momentum, symmetry properties of the electronic wavefunctions or orbitals, term symbols, stable and unstable states, electronic spectrum of diatomic molecules: Born-Oppenheimer approximation, general selection rules, energy difference between two electronic states, Frank-Condon principle, selection rules, branches of a band, absorption and emission spectra, electronic spectra of polyatomic molecules, Jablonsky diagram, photophysical processes, radiative and non-radiative processes (5 lectures) |
| References |
|---|
| 1. Basic molecular spectroscopy, P.A. Gorry, Butterworth & Co. (Publishers) Ltd 1985.
2. Quantum chemistry and spectroscopy (3rd Ed), Thomas Engel, Warrem Hehre, Pearson (Publishers), ISBN-13: 978-0321766199. 3. P. W. Atkins and J. de Paula, Physical Chemistry, Oxford University Press, Oxford. 4. C.N. Banwell and E.M. McCash, Fundamentals of Molecular Spectroscopy, TataMcGraw Hill, New Delhi. 5. Spectra of atoms and molecules, Peter. F. Bernath, Oxford Univ. Press, Oxford. |
Course Credit Options
| Sl. No. | Programme | Semester No | Course Choice |
|---|---|---|---|
| 1 | IP | 2 | Not Allowed |
| 2 | IP | 4 | Not Allowed |
| 3 | IP | 6 | Not Allowed |
| 4 | MP | 2 | Not Allowed |
| 5 | MP | 4 | Not Allowed |
| 6 | MR | 2 | Not Allowed |
| 7 | MR | 4 | Not Allowed |
| 8 | MS | 10 | Not Allowed |
| 9 | MS | 4 | Core |
| 10 | MS | 6 | Not Allowed |
| 11 | MS | 8 | Not Allowed |
| 12 | RS | 1 | Not Allowed |
| 13 | RS | 2 | Not Allowed |