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Syllabi and Reference Books for CSIR-UGC-NET/GATE and CSE Chemistry

Syllabus for GATE Chemistry 

Section 1: Physical Chemistry

Structure: Postulates of quantum mechanics. Time dependent and time independent Schrödinger equations. Born interpretation. Particle in a box. Harmonic oscillator. Rigid rotor. Hydrogen atom: atomic orbitals. Multi-electron atoms: orbital approximation. Variation and first order perturbation techniques. Chemical bonding: Valence bond theory and LCAO-MO theory. Hybrid orbitals. Applications of LCAO-MOT to H2+, H2 and other homonuclear diatomic molecules, heteronuclear diatomic molecules like HF, CO, NO, and to simple delocalized π– electron systems. Hückel approximation and its application to annular π – electron systems. Symmetry elements and operations. Point groups and character tables. Origin of selection rules for rotational, vibrational, electronic and Raman spectroscopy of diatomic and polyatomic molecules. Einstein coefficients. Relationship of transition moment integral with molar extinction coefficient and oscillator strength. Basic principles of nuclear magnetic resonance: nuclear g factor, chemical shift, nuclear coupling.

Equilibrium: Laws of thermodynamics. Standard states. Thermochemistry. Thermodynamic functions and their relationships: Gibbs-Helmholtz and Maxwell relations, van’t Hoff equation. Criteria of spontaneity and equilibrium. Absolute entropy. Partial molar quantities. Thermodynamics of mixing. Chemical potential. Fugacity, activity and activity coefficients. Chemical equilibria. Dependence of equilibrium constant on temperature and pressure. Non-ideal solutions. Ionic mobility and conductivity. Debye-Hückel limiting law. Debye-Hückel-Onsager equation. Standard electrode potentials and electrochemical cells. Potentiometric and conductometric titrations. Phase rule. ClausiusClapeyron equation. Phase diagram of one component systems: CO2, H2O, S; two component systems: liquid-vapour, liquid-liquid and solid-liquid systems. Fractional distillation. Azeotropes and eutectics. Statistical thermodynamics: microcanonical and canonical ensembles, Boltzmann distribution, partition functions and thermodynamic properties.

Kinetics: Transition state theory: Eyring equation, thermodynamic aspects. Potential energy surfaces and classical trajectories. Elementary, parallel, opposing and consecutive reactions. Steady state approximation. Mechanisms of complex reactions. Unimolecular reactions. Kinetics of polymerization and enzyme catalysis. Fast reaction kinetics: relaxation and flow methods. Kinetics of photochemical and photophysical processes.

Surfaces and Interfaces: Physisorption and chemisorption. Langmuir, Freundlich and BET isotherms. Surface catalysis: Langmuir-Hinshelwood mechanism. Surface tension, viscosity. Self-assembly. Physical chemistry of colloids, micelles and macromolecules.
 Section 2: Inorganic Chemistry
Main Group Elements: Hydrides, halides, oxides, oxoacids, nitrides, sulfides – shapes and reactivity. Structure and bonding of boranes, carboranes, silicones, silicates, boron nitride, borazines and phosphazenes. Allotropes of carbon. Chemistry of noble gases, pseudohalogens, and interhalogen compounds. Acid-base concepts.

Transition Elements: Coordination chemistry – structure and isomerism, theories of bonding (VBT, CFT, and MOT). Energy level diagrams in various crystal fields, CFSE, applications of CFT, Jahn-Teller distortion. Electronic spectra of transition metal complexes: spectroscopic term symbols, selection rules, Orgel diagrams, charge-transfer spectra. Magnetic properties of transition metal complexes. Reaction mechanisms: kinetic and thermodynamic stability, substitution and redox reactions.

 Lanthanides and Actinides: Recovery. Periodic properties, spectra and magnetic properties. Organometallics: 18-Electron rule; metal-alkyl, metal-carbonyl, metal-olefin and metalcarbene complexes and metallocenes. Fluxionality in organometallic complexes. Types of organometallic reactions. Homogeneous catalysis - Hydrogenation, hydroformylation, acetic acid synthesis, metathesis and olefin oxidation. Heterogeneous catalysis - FischerTropsch reaction, Ziegler-Natta polymerization.

Radioactivity: Decay processes, half-life of radioactive elements, fission and fusion processes. Bioinorganic Chemistry: Ion (Na+ and K+) transport, oxygen binding, transport and utilization, electron transfer reactions, nitrogen fixation, metalloenzymes containing magnesium, molybdenum, iron, cobalt, copper and zinc.

Solids: Crystal systems and lattices, Miller planes, crystal packing, crystal defects, Bragg’s law, ionic crystals, structures of AX, AX2, ABX3 type compounds, spinels, band theory, metals and semiconductors.

Instrumental Methods of Analysis: UV-visible spectrophotometry, NMR and ESR spectroscopy, mass spectrometry. Chromatography including GC and HPLC. Electroanalytical methods- polarography, cyclic voltammetry, ion-selective electrodes. Thermoanalytical methods.

Section 3: Organic Chemistry
Stereochemistry: Chirality of organic molecules with or without chiral centres and determination of their absolute configurations. Relative stereochemistry in compounds having more than one stereogenic centre. Homotopic, enantiotopic and diastereotopic atoms, groups and faces. Stereoselective and stereospecific synthesis. Conformational analysis of acyclic and cyclic compounds. Geometrical isomerism. Configurational and conformational effects, and neighbouring group participation on reactivity and selectivity/specificity.

Reaction Mechanisms: Basic mechanistic concepts – kinetic versus thermodynamic control, Hammond’s postulate and Curtin-Hammett principle. Methods of determining reaction mechanisms through identification of products, intermediates and isotopic labeling. Nucleophilic and electrophilic substitution reactions (both aromatic and aliphatic). Addition reactions to carbon-carbon and carbon-heteroatom (N,O) multiple bonds. Elimination reactions. Reactive intermediates – carbocations, carbanions, carbenes, nitrenes, arynes and free radicals. Molecular rearrangements involving electron deficient atoms.

Organic Synthesis: Synthesis, reactions, mechanisms and selectivity involving the following classes of compounds – alkenes, alkynes, arenes, alcohols, phenols, aldehydes, ketones, carboxylic acids, esters, nitriles, halides, nitro compounds, amines and amides. Uses of Mg, Li, Cu, B, Zn and Si based reagents in organic synthesis. Carbon-carbon bond formation through coupling reactions - Heck, Suzuki, Stille and Sonogoshira. Concepts of multistep synthesis - retrosynthetic analysis, strategic disconnections, synthons and synthetic equivalents. Umpolung reactivity – formyl and acyl anion equivalents. Selectivity in organic synthesis – chemo-, regio- and stereoselectivity. Protection and deprotection of functional groups. Concepts of asymmetric synthesis – resolution (including enzymatic), desymmetrization and use of chiral auxilliaries. Carbon-carbon bond forming reactions through enolates (including boron enolates), enamines and silyl enol ethers. Michael addition reaction. Stereoselective addition to C=O groups (Cram and Felkin-Anh models).

Pericyclic Reactions and Photochemistry: Electrocyclic, cycloaddition and sigmatropic reactions. Orbital correlations - FMO and PMO treatments. Photochemistry of alkenes, arenes and carbonyl compounds. Photooxidation and photoreduction. Di-π-methane rearrangement, Barton reaction

Heterocyclic Compounds: Structure, preparation, properties and reactions of furan, pyrrole, thiophene, pyridine, indole, quinoline and isoquinoline. Biomolecules: Structure, properties and reactions of mono- and di-saccharides, physicochemical properties of amino acids, chemical synthesis of peptides, structural features of proteins, nucleic acids, steroids, terpenoids, carotenoids, and alkaloids.

Spectroscopy: Applications of UV-visible, IR, NMR and Mass spectrometry in the structural determination of organic molecules

CSIR-UGC National Eligibility Test (NET) for Junior Research Fellowship and Lecturer-ship
CHEMICAL SCIENCES
Inorganic Chemistry
1. Chemical periodicity
2. Structure and bonding in homo- and heteronuclear molecules, including shapes of molecules (VSEPR Theory).
3. Concepts of acids and bases, Hard-Soft acid base concept, Non-aqueous solvents.
4. Main group elements and their compounds: Allotropy, synthesis, structure and bonding, industrial importance of the compounds.
5. Transition elements and coordination compounds: structure, bonding theories, spectral and magnetic properties, reaction mechanisms.
6. Inner transition elements: spectral and magnetic properties, redox chemistry, analytical applications.

7. Organometallic compounds: synthesis, bonding and structure, and reactivity.
Organometallics in homogeneous catalysis.
8. Cages and metal clusters.
9. Analytical chemistry- separation, spectroscopic, electro- and thermoanalytical methods.
10. Bioinorganic chemistry: photosystems, porphyrins, metalloenzymes, oxygen transport, electron- transfer reactions; nitrogen fixation, metal complexes in
medicine.
11. Characterisation of inorganic compounds by IR, Raman, NMR, EPR, Mössbauer, UV-vis, NQR, MS, electron spectroscopy and microscopic techniques.
12. Nuclear chemistry: nuclear reactions, fission and fusion, radio-analytical techniques and activation analysis.
Physical Chemistry:
1. Basic principles of quantum mechanics: Postulates; operator algebra; exactly- solvable systems: particle-in-a-box, harmonic oscillator and the hydrogen atom, including shapes of atomic orbitals; orbital and spin angular momenta; tunneling.
2. Approximate methods of quantum mechanics: Variational principle; perturbation theory up to second order in energy; applications.
3. Atomic structure and spectroscopy; term symbols; many-electron systems and antisymmetry principle.
4. Chemical bonding in diatomics; elementary concepts of MO and VB theories; Huckel theory for conjugated π-electron systems.
5. Chemical applications of group theory; symmetry elements; point groups; character tables; selection rules.
6. Molecular spectroscopy: Rotational and vibrational spectra of diatomic molecules; electronic spectra; IR and Raman activities – selection rules; basic principles of magnetic resonance.
7. Chemical thermodynamics: Laws, state and path functions and their applications; thermodynamic description of various types of processes; Maxwell’s relations; spontaneity and equilibria; temperature and pressure dependence of thermodynamic quantities; Le Chatelier principle; elementary description of
phase transitions; phase equilibria and phase rule; thermodynamics of ideal and non-ideal gases, and solutions.
8. Statistical thermodynamics: Boltzmann distribution; kinetic theory of gases; partition functions and their relation to thermodynamic quantities – calculations for model systems.
9. Electrochemistry: Nernst equation, redox systems, electrochemical cells; DebyeHuckel theory; electrolytic conductance – Kohlrausch’s law and its applications; ionic equilibria; conductometric and potentiometric titrations.
10. Chemical kinetics: Empirical rate laws and temperature dependence; complex reactions; steady state approximation; determination of reaction mechanisms; collision and transition state theories of rate constants; unimolecular reactions; enzyme kinetics; salt effects; homogeneous catalysis; photochemical reactions.
11. Colloids and surfaces: Stability and properties of colloids; isotherms and surface area; heterogeneous catalysis.

12. Solid state: Crystal structures; Bragg’s law and applications; band structure of solids.
13. Polymer chemistry: Molar masses; kinetics of polymerization.
14. Data analysis: Mean and standard deviation; absolute and relative errors; linear regression; covariance and correlation coefficient.
Organic Chemistry
1. IUPAC nomenclature of organic molecules including regio- and stereoisomers.
2. Principles of stereochemistry: Configurational and conformational isomerism in acyclic and cyclic compounds; stereogenicity, stereoselectivity, enantioselectivity, diastereoselectivity and asymmetric induction.
3. Aromaticity: Benzenoid and non-benzenoid compounds – generation and reactions.
4. Organic reactive intermediates: Generation, stability and reactivity of carbocations, carbanions, free radicals, carbenes, benzynes and nitrenes.
5. Organic reaction mechanisms involving addition, elimination and substitution reactions with electrophilic, nucleophilic or radical species. Determination of reaction pathways.
6. Common named reactions and rearrangements – applications in organic synthesis.
7. Organic transformations and reagents: Functional group interconversion including oxidations and reductions; common catalysts and reagents (organic, inorganic, organometallic and enzymatic). Chemo, regio and stereoselective transformations.
8. Concepts in organic synthesis: Retrosynthesis, disconnection, synthons, linear and convergent synthesis, umpolung of reactivity and protecting groups.
9. Asymmetric synthesis: Chiral auxiliaries, methods of asymmetric induction – substrate, reagent and catalyst controlled reactions; determination of enantiomeric and diastereomeric excess; enantio-discrimination. Resolution – optical and kinetic.
10. Pericyclic reactions – electrocyclisation, cycloaddition, sigmatropic rearrangements and other related concerted reactions. Principles and applications of photochemical reactions in organic chemistry.
11. Synthesis and reactivity of common heterocyclic compounds containing one or two heteroatoms (O, N, S).
12. Chemistry of natural products: Carbohydrates, proteins and peptides, fatty acids,
nucleic acids, terpenes, steroids and alkaloids. Biogenesis of terpenoids and alkaloids.
13. Structure determination of organic compounds by IR, UV-Vis, 1H & 13C NMR and Mass spectroscopic techniques.
Interdisciplinary topics
1. Chemistry in nanoscience and technology.
2. Catalysis and green chemistry.
3. Medicinal chemistry.
4. Supramolecular chemistry.
5. Environmental chemistry.

Chemistry Syllabus for UPSC Main Examination

Paper-I
1. Atomic Structure: Heisenberg's uncertainty principle, Schrodinger wave equation (time independent); Interpretation of wave function, particle in one-dimensional box, quantum numbers, hydrogen atom wave functions; Shapes of s, p and d orbitals.

2. Chemical Bonding: Ionic bond, characteristics of ionic compounds, lattice energy, Born-Haber cycle; covalent bond and its general characteristics, polarities of bonds in molecules and their dipole moments; Valence bond theory, concept of resonance and resonance energy; Molecular orbital theory (LCAO method); bonding in H2+, H2, He2+ to Ne2, NO, CO, HF, and CN-; Comparison of valence bond and molecular orbital theories, bond order, bond strength and bond length.
3. Solid State: Crystal systems; Designation of crystal faces, lattice structures and unit cell; Bragg's law; X-ray diffraction by crystals; Close packing, radius ratio rules, calculation of some limiting radius ratio values; Structures of NaCl, ZnS, CsCl and CaF2; Stoichiometric and nonstoichiometric defects, impurity defects, semi-conductors.
4. The Gaseous State and Transport Phenomenon: Equation of state for real gases,
intermolecular interactions and critical phenomena and liquefaction of gases, Maxwell's
distribution of speeds, intermolecular collisions, collisions on the wall and effusion; Thermal conductivity and viscosity of ideal gases.
5. Liquid State: Kelvin equation; Surface tension and surface energy, wetting and contact angle,
interfacial tension and capillary action.
6. Thermodynamics: Work, heat and internal energy; first law of thermodynamics. Second law
of thermodynamics; entropy as a state function, entropy changes in various processes, entropyreversibility and irreversibility, Free energy functions; Thermodynamic equation of state;Maxwell relations; Temperature, volume and pressure dependence of U, H, A, G, Cp and Cv α and β; J-T effect and inversion temperature; criteria for equilibrium, relation between equilibrium constant and thermodynamic quantities; Nerns theat theorem, introductory idea of third law of thermodynamics.
7. Phase Equilibria and Solutions: Clausius-Clapeyron equation; phase diagram for a pure substance; phase equilibria in binary systems, partially miscible liquids-upper and lower critical solution temperatures; partial molar quantities, their significance and determination; excess thermodynamic functions and their determination.
8. Electrochemistry: Debye-Huckel theory of strong electrolytes and Debye-Huckel limiting Law for various equilibrium and transport properties. Galvanic cells, concentration cells; electrochemical series, measurement of e.m.f. of cells and its applications fuel cells and batteries. Processes at electrodes; double layer at the interface; rate of charge transfer, current density; overpotential; electro-analytical techniques: Polarography, amperometry, ion selective electrodes and their uses.
9. Chemical Kinetics: Differential and integral rate equations for zeroth, first, second and
fractional order reactions; Rate equations involving reverse, parallel, consecutive and chain reactions; branching chain and explosions; effect of temperature and pressure on rate constant; Study of fast reactions by stop-flow and relaxation methods; Collisions and transition state theories.
10. Photochemistry: Absorption of light; decay of excited state by different routes;
photochemical reactions between hydrogen and halogens and their quantum yields.
11. Surface Phenomena and Catalysis: Absorption from gases and solutions on solid
adsorbents, Langmuir and B.E.T. adsorption isotherms; determination of surface area,
characteristics and mechanism of reaction on heterogeneous catalysts.
12. Bio-inorganic Chemistry: Metal ions in biological systems and their role in ion transport across the membranes (molecular mechanism), oxygenuptake proteins, cytochromes and ferredoxins.
13. Coordination Compounds: (i) Bonding theories of metal complexes; Valence bond theory, crystal field theory and its modifications; applications of theories in the explanation of magnetism and electronic spectra of metal complexes. (ii) Isomerism in coordination compounds; IUPAC nomenclature of coordination compounds; stereochemistry of complexes with 4 and 6 coordination numbers; chelate effect and polynuclear complexes; trans effect and its theories; kinetics of substitution reactions in square-planer complexes; thermodynamic and kinetic stability of complexes. (iii) EAN rule, Synthesis structure and reactivity of metal  carbonyls; carboxylate anions, carbonyl hydrides and metal nitrosyl compounds. (iv) Complexes with aromatic systems, synthesis, structure and bonding in metal olefin complexes, alkyne complexes and cyclopentadienyl complexes; coordinative unsaturation, oxidative addition reactions, insertion reactions, fluxional molecules and their characterization; Compounds with
metal-metal bonds and metal atom clusters.
14. Main Group Chemistry: Boranes, borazines, phosphazenes and cyclic phosphazene, silicates and silicones, Interhalogen compounds; Sulphur - nitrogen compounds, noble gas compounds.
15. General Chemistry of 'f' Block Elements: Lanthanides and actinides; separation, oxidation states, magnetic and spectral properties; lanthanide contraction.
Paper-II

1. Delocalised Covalent Bonding: Aromaticity, anti-aromaticity; annulenes, azulenes,
tropolones, fulvenes, sydnones.
2. (i) Reaction Mechanisms: General methods (both kinetic and non-kinetic) of study of
mechanism of organic reactions: isotopic method, cross-over experiment, intermediate
trapping, stereochemistry; energy of activation; thermodynamic control and kinetic control of reactions.
(ii) Reactive Intermediates: Generation, geometry, stability and reactions of carbonium ions and carbanions, free radicals, carbenes, benzynes and nitrenes.
(iii) Substitution Reactions: SN1, SN2 and SNi mechanisms; neighbouring group participation; electrophilic and nucleophilic reactions of aromatic compounds including heterocyclic compounds-pyrrole, furan, thiophene and indole.
(iv) Elimination Reactions: E1, E2 and E1cb mechanisms; orientation in E2 reactions-Saytzeff and Hoffmann; pyrolytic syn elimination - Chugaev and Cope eliminations.
(v) Addition Reactions: Electrophilic addition to C=C and C=C; nucleophilic addition to C=0, C=N, conjugated olefins and carbonyls.
(vi) Reactions and Rearrangements:
(a) Pinacol-pinacolone, Hoffmann, Beckmann, Baeyer-Villiger, Favorskii, Fries, Claisen, Cope, Stevens and WagnerMeerwein rearrangements.
(b) Aldol condensation, Claisen condensation, Dieckmann, Perkin, Knoevenagel, Witting,
Clemmensen, Wolff-Kishner, Cannizzaro and von Richter reactions; Stobbe, benzoin and acyloin condensations; Fischer indole synthesis, Skraup synthesis, Bischler-Napieralski, Sandmeyer, Reimer-Tiemann and Reformatsky reactions.

3. Pericyclic Reactions: Classification and examples; Woodward Hoffmann rules - electro cyclic reactions, cycloaddition reactions [2+2 and 4+2] and sigma tropic shifts [1, 3; 3, 3 and 1, 5] FMO approach.
4. (i) Preparation and Properties of Polymers: Organic polymers-polyethylene, polystyrene, polyvinyl chloride, teflon, nylon, terylene, synthetic and natural rubber.
(ii) Biopolymers: Structure of proteins, DNA and RNA.
5. Synthetic Uses of Reagents: OsO4, HIO4, CrO3, Pb(OAc)4, SeO2, NBS, B2H6, Na-Liquid NH3, LiAlH4, NaBH4, n-BuLi and MCPBA.
6. Photochemistry: Photochemical reactions of simple organic compounds, excited and groundstates, singlet and triplet states, Norrish-Type I and Type II reactions.
7. Spectroscopy: Principle and applications in structure elucidation: (i) Rotational: Diatomic molecules; isotopic substitution and rotational constants.
(ii) Vibrational: Diatomic molecules, linear triatomic molecules, specific frequencies of functional groups in polyatomic molecules.
(iii) Electronic: Singlet and triplet states; Nπ* and ππ* transitions; application to
conjugated double bonds and conjugated carbonyls-Woodward-Fieser rules; Charge transfer spectra.
(iv) Nuclear Magnetic Resonance (1H NMR): Basic principle; chemical shift and spin-spin
interaction and coupling constants.
(v) Mass Spectrometry: Parent peak, base peak, metastable peak, McLafferty rearrangement.
Reference Books :

PHYSICAL CHEMISTRY:

Thermodynamics
1. Physical Chemistry – Thomas Engel & Philip Reid
2. Principles of Physical Chemistry – Puri, Sharma & Pathania
3.A text book of Physical Chemistry (Vol-II) – K. L. Kapoor
Chemical Kinetics & Catalysis:
1. Chemical Kinetics and Catalysis – Richard Mishel
2. Chemical Kinetics – Keith J Laidler
3. A text book of Physical Chemistry (Vol-V) – K. L. Kapoor
Electrochemistry
1. An Introduction to Electrochemistry – Samuel Glasstone
2. Electrochemistry – Philip H. Rieger
3. A book of Physical Chemistry (Vol-III) – K L Kapoor
Quantum Chemistry
1. Quantum Chemistry through Problems and Solutions – R.K. Prasad
2. Quantum Chemistry – Donald A. McQuarrie
Molecular Spectroscopy
1. Fundamentals of Molecular Spectroscopy – Colin N. Banwell
2. Physical Methods – Russel S. Drago
Group Theory
1. Chemical Applications of Group Theory – F. Albert Cotton

Collides & Surfaces
1. Surface Chemistry – A Goel
2.Introduction to Surface Chemistry & Catalysis – Gabor A. Somorjai
ORGANIC CHEMISTRY:
Principles of Stereochemistry
1. Stereochemistry Conformation and Mechanism -P.S. Kalsi
2. Stereochemistry of Organic Compounds - E. L. Eliel
Organic Reaction Mechanism
1. A Guidebook to Mechanism in Organic Chemistry – Peter Sykes
2. Organic Chemistry -Clayden, Greeves, Warren and Wothers
Advanced Organic Chemistry
1. Part-A: Structure and Mechanism – Francis A. Carey, Richard J. Sundberg
2. Part-B : Reactions and Synthesis - Francis A. Carey, Richard J. Sundberg
Reagents in Organic Synthesis
1. Modern Methods of Organic Synthesis – William Carruthers, Iain Coldham
Organic Synthesis
1. Organic Synthesis the disconnection approach – Stuart Warren
Spectroscopy
1. Spectrometric Identification of Org. Compounds – R. M. Silverstein, F. X. Webster
2. Organic Spectroscopy – William Kemp
Pericyclic Reactions
1. Pericyclic Reactions – R T Morrison, R N Boyd
Photochemical Reactions
1. Organic Photochemistry – James H. Coxon, B. Halton
INORGANIC CHEMISTRY:

Chemical Bonding and Shapes of compounds
1.Inorganic Chemistry - J. E. Huheey
2.Inorganic Chemistry - Meissler & Tarr
Main Group Elements (s and p blocks)
1. Concise Inorganic Chemistry - J. D. Lee
Transition Metal & Coordination Compounds (d block)
1. Concise Inorganic Chemistry - J. D. Lee
2.Inorganic Chemistry -Meissler & Tarr
3. Mechanism of Inorganic Reactions – Fred Basolo, Ralph G. Pearson
Organometallic Compounds
1. Concept and Models of Inorganic Chemistry – Bodie Douglas, Darl McDaniel, John Alexander
2. Inorganic Chemistry – Catherine E. Housecraft, Alan G. Sharpe
Bioinorganic Chemistry
1.Inorganic Chemistry – Shriver & Atkins
2. 2. Inorganic Chemistry – James E. Huheey, E.A. Keiter, R. L. Keiter, O. K. Medhi
Analytical Chemistry
1. Instrumental Method – Skoog, Holler & Crouch


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