Details of CH4204 (Spring 2026)
| Level: 4 | Type: Theory | Credits: 4.0 |
| Course Code | Course Name | Instructor(s) |
|---|---|---|
| CH4204 | Physical Inorganic and Adv. Bioinorganic Chemistry | Sumit Khanra |
| Syllabus |
|---|
| Review: Ligand Field Theory & Electronic Absorption Spectroscopy (1 L)
Electronic Structure of Metal-Oxo and Metal Nitrido Complexes, Oxo-Wall (2L) Magnetism in Bioinorganic Chemistry: (i) Basic Principles, Measurement (SQUID), Susceptibility, Magnetization, Curie-Law, Curie-Weiss law, Calculation of Xm M.T and Mu so . Orbital contribution (Mu L ) for A, E & T ground terms. Spin-Orbit Coupling Constant (Alpha) (ii) Mononuclear systems with metal ions of the transition series (iii) Polynuclear Complexes of transition metal ions: Dinuclear, Trinuclear and Tetranuclear. HDVV Hamiltonian. Spin-Hamiltonian (SH) parameters and evaluation of SH parameters like exchange coupling constant (J), Axial Zero Field Splitting (D), Rhombic Zero-Field Splitting (E). Exchange Interaction Mechanism. (4-5 L) EPR Spectroscopy: (i) Basic Principles and g factors. Isotropic and anisotropic (axial, rhombic) EPR spectra. deviation of g-factors from 2. (ii) Zero-field Splitting: Axial (D) & Rhombic (E) ZFS. EPR spectroscopy of S=1, 3/2, 4/2 and 5/2 systems. Determination of SH parameters (D, E) from Hamiltonian and spectroscopic data (iii) EPR of exchange-coupled systems. (iv) Elucidation of valence localized or delocalized structure from the EPR spectroscopic data. (v) Hyperfine Interaction and Hyperfine Coupling Constant (A) (4-5 L) Mossbauer Spectroscopy: (i) Basic Principles & aspects of 57 Fe spectroscopy. Isomer Shift, Quadruple Splitting. Hyperfine interaction and Hyperfine Coupling Constant. (ii) Examples of High-spin & low spin Fe compounds. Elucidation of oxidation and spin states via Mossbauer spectroscopy (2 L) Molecular Vibrational Spectroscopy: Recapitulation of principles & elucidation of relevant bioinorganic active sites via IR & Raman Spectroscopic techniques (1 L) Chemistry of O 2 : MO Diagrams of O 2 . (ii) PROS: O 2 - (Superoxide) and O 2 2- (Peroxide). (iii) Vibrational and Geometric properties of dioxygen species. (iv) Role of oxygen as the energy source in biological systems (1 L) Bioinorganic Chemistry of Fe: (i) O 2 carriers in biological systems. (ii) Deoxy and oxy-hemoglobin and myoglobin (iii) Magnetic properties of deoxy and oxy-hemoglobin (iv) O 2 binding in Fe-heme system: Vibrational, EPR and Mossbauer Spectroscopic studies. (v) Heme enzymes: Cytochrome P450, Monooxygenase, Mechanism of C-H hydroxylation and spin state, High-Valent Iron-Oxo. (vi) Hydrogen atom Transfer (HAT) and Proton- Coupled Electron Transfer (PCET). (vii) Horseradish Peroxidase (5 L) Bioinorganic Chemistry of Cu: (i) Metalloenzymes containing Cu, O 2 activation, variable binding modes of partially reduced oxygen species (PROS). Monooxygenase (ii) Studies on model copper complexes via spectroscopic and magnetic characterizations. Metal-radical interaction and reaction mechanism (3 L) Bioinorganic Chemistry of Mn: (i) Metalloenzymes containing Mn, O 2 -evolving complex, PS-II, O 2 activation, H 2 O oxidation, Light-driven PCET process (ii) Studies on model manganese complexes via spectroscopic and magnetic characterizations. Manganese-radical interaction (3 L) Bioinorganic Chemistry of Fe: (i) MO Diagrams of N 2 , N 2 activation, Nitrogenase, Active-site structure, Fe-M Cofactor (ii) Reaction Mechanism of N 2 activation, Schrock-Cycle (iii) Studies on model Fe, Mo complexes via spectroscopic and magnetic characterizations (3 L) Bioinorganic Chemistry of Fe and Fe-Ni: (i) Dihydrogen activation, Hydrogenase, Active Site Structure of [FeFe] and [FeNi] Hydrogenase (ii) Studies on model complexes via spectroscopic and magnetic characterizations (2 L) |
| References |
|---|
| Books & References:
1. Physical Methods in Bioinorganic Chemistry: Spectroscopy and Magnetism Edited by Lawrence Que Jr. 2. Bioinorganic Chemistry: Inorganic Elements in the Chemistry of Life by Wolfgang Kaim & Brigitte Schwederski. Supporting: 1. Molecular Magnetism by Olivier Kahn 2. Elements of Magnetochemistry by R. L. Dutta & A. Syamal 3. EPR of Exchange Coupled Systems by A. Bencini & D. Gatteschi. |
Course Credit Options
| Sl. No. | Programme | Semester No | Course Choice |
|---|---|---|---|
| 1 | IP | 2 | Not Allowed |
| 2 | IP | 4 | Not Allowed |
| 3 | MP ( Chemical Sciences ) | 2 | Core |
| 4 | MP | 4 | Not Allowed |
| 5 | MR | 2 | Not Allowed |
| 6 | MR | 4 | Not Allowed |
| 7 | MS | 10 | Elective |
| 8 | MS | 4 | Not Allowed |
| 9 | MS | 6 | Not Allowed |
| 10 | MS | 8 | Elective |
| 11 | RS | 1 | Elective |
| 12 | RS | 2 | Elective |