Course info

CHE526T

Molecular Spectroscopy

The course contains the basics of spectroscopy and its applications in chemistry. Different spectroscopic techniques useful for advanced chemistry are included in this course. Electronic, microwave, fluorescence, phosphorescence, IR, Raman, NMR, and ESR spectroscopy techniques are part of this course structure.

The total syllabus is divided into four main units and related topics are listed under them.  Detailed discussions and necessary derivations from the physical chemistry point of view will be discussed in the class along with some important applications.  NET/GATE level problems will be discussed in the class with detailed explanations also.

This course will run in a blended mode this semester. 

SYLLABUS

Unit – I: Electronic and Microwave Spectroscopy

Electronic Spectra: Introduction to Electronic spectra, Lambert-Beer’s law, Born-Oppenheimer approximation, Franck – Condon principle, H atom spectra, Absorption and emission spectra, selection rules, Einstein coefficients,

Microwave Spectra: Rigid and Non-rigid rotator models, Rotational energies of diatomic molecules: Moment of inertia and bond length, Centrifugal distortion, Effect of isotopic substitution

Unit - II: Fluorescence and Phosphorescence

Jablonski diagram, Fluorescence, Characteristics of fluorescence emission: mirror image rule, Life time and quantum yields, Quenching, Fluorescence anisotropy, FRET, Steady state and time resolved method, FCS and TCSPC methods, Solvent effects, single molecule fluorescence, Phosphorescence, difference between fluorescence and phosphorescence.

Unit – III: Infra-Red and Raman Spectroscopy

Vibrational Spectra: Harmonic and Anharmonic oscillators, Fundamental frequencies, Overtones, Morse potential, Hot bands, Vibration-rotational spectra of HCl, PQR branches, Characteristic stretching frequencies of common functional groups and their dependence on chemical environment.

Raman Spectra: Molecular polarizability – Raman Effect, Pure rotational Raman spectra of linear molecules, Vibrational Raman spectra – Raman activity of vibrational, Rule of mutual exclusion.

 

Unit – IV: Magnetic Resonance Spectroscopy

Interaction of magnetic moments with external magnetic field and the relevant Zeeman levels, Selection rules, Chemical shifts and Origin of chemical shifts, Spectral features due to spin-spin interaction in NMR Classification of NMR spectra.Concept of pulses and Relaxation techniques, Principles of 2D NMR.

ESR Spectra: Position of ESR adsorption, the g-factor fine structure of ESR absorption, Hyperfine structure. Mechanism of Hyperfine Coupling and McConnell’s Relation.

Identification of pure ESR transitions and NMR transitions in the energy level diagram, Hyperfine interaction.