Chemistry I

Credits: 4

Unit – I
Atomic & molecular structure
MolecularorbitalTheory: Equationsfor atomic and molecular orbitals (LCAO), Energy level diagram of homo(H2,N2,O2,L i 2 , F2) & heteromolecules (CO,NO, HF), Concept of bond order. Pi‐molecular orbitals of butadiene, benzene and aromaticity.CrystalFieldTheory:Splitting ofd-orbitalofoctahedralandtetrahedral complexes,Energy leveldiagram oftransitionmetal ion&magneticproperty, numerical based on Crystal field stabilization energy.

Unit – II
Spectroscopic techniques and applications
Principle of spectroscopy. Electromagnetic radiation, Spectrophotometer (line diagram) Electronic Spectroscopy (Ultraviolet–visible spectroscopy): Theory, Types of electronic transition, Chromophore, auxochromes ,Electronic excitation in conjugated dienes , Absorption Laws, applications on quantitative analysis , Simple numerical based on absorption laws and uses or application of Electronic Spectroscopy. Vibrational spectroscopy (Infrared spectroscopy): Molecular vibration, Selection rule, functional group region, fingerprint region and uses or application of Vibrational spectroscopy. Nuclear magnetic resonance spectroscopy: Introduction, number of signal, chemical shift, Spin‐spin oupling and uses or application of Nuclear magnetic resonance spectroscopy.

Unit – III
Use of free energy in Chemical Equilibria
Thermodynamic Functions: Energy, Entropy, Free energy, Cell potential & related numericals,Estimations of entropyandfreeenergies, Nernst Equation & its application to voltaic cell,Relation of free energy with EMF. Corrosion: Electrochemical theory of corrosion, galvanic series, Galvanic corrosion, Differential aeration corrosion, Pitting, and Water line corrosion, Caustic embrittlement,factors affecting corrosion ,Cathodic Protection.

Unit –IV
Periodic properties
Periodic table, atomic and ionic radii, ionisation energies, electron affinity, electronegativity. Effective nuclear charge, penetration of orbitals, variations of s, p, d and f orbital energies of atoms. Polarizability,Oxidation states, coordination numbers and geometries, Hard, soft acids and bases (Classification,PearsonsHSABprinciple,itsapplications&limitations)MolecularGeometry(Valenceshell electronpairrepulsiontheorytoNH3,H3O+, SF4,CIF3, ICl2 and H2O), Numerical based on effective nuclear charge.

Unit -V
Organic reactions and synthesis of drug molecule
Introduction to reactions involving substitution (free radical-Chlorination of molecule, Gomberg reaction,
Wurtz reaction, Electrophilic, Nucliophilic-SN1 SN2 ), Addition (Electrophilic–Morkownihoff rule,Nuclophilic)Elimination ( α elimination , β elimination , unimolecular E1, biomolecular E2), oxidation (Baeyer villiger oxidation), reduction (Clemmensen reduction, Wolff‐Kishner reduction) cyclization (Bergman Cyclization) and ring openings and rearrangement reaction ( Beckamann, Reimer- Tiemann reaction, Canannizaro, crossed cannizzaro reaction) Synthesis of a commonly used drug molecule: General guidelines of drug making, synthesis of Aspirin, Ibuprofen, Paracetamol.

Unit -VI
Introduction to quantum theory
Schrodingerequation&itsimportance,Applicationstohydrogenatom, Wavemechanicalmodelfor manyelectronatoms‐radialdistributioncurves.

Unit -VII
Chemical bonding in molecules:
MO theory, Structure, bonding and energy levels of bonding and shapes of many atom molecules, CoordinationChemistry,Electronicspectraandmagnetic properties of complexes with relevance to bio- inorganic chemistry, organometallic chemistry.

Unit -VIII
Stereochemistry:
Introduction to Stereochemistry: Representations of 3 dimensional structures, Chirality, Optical activity. Isomerism‐ structural isomerism, stereoisomers, enantiomers, diastereomers, Configurations (D, L &R, S), Geometrical isomerism (cisandtrans&EandZ).Racemicmodification &theirresolution, Isomerismin transitional metalcompounds. Conformational analysis: Conformations of cyclic ( cyclohexane) and acyclic compounds (ethane & butane).

Unit -IX
Reactivity of organic molecules:
Organic acids and bases: factors influencing acidity, basicity, and nucleophilicity of molecules, kinetic vs. thermodynamic control of reactions.

Unit -X
Strategies for synthesis of organic compounds:
Reactive intermediates substitution, elimination, rearrangement, kinetic and thermodynamic aspects, role of solvents.

Text Books:
1. A.TextBookofEngg.Chemistry,ShashiChawala,DhanpatRai&Co.(P)Ltd.
2. EngineeringChemistrybyP.C.Jain(DhanpatRaiPublishingCompany.
3. Engineering Chemistry,Concept in engineering Chemistry by Satyaprakash and Manisha Agrawal by Khanna Publication.

Books for Chemical Engineering:
1.AdvancedInorganicChemistryVol1&IIbyGurdeepRaj, GoelPublishingHouse.
2. OrganicReactionandTheirMechanism, P.S.Kalsi,NewAgeInternational Publishers.

Reference Books:
1. Universitychemistry,byB.H.Mahan
2. Chemistry:PrinciplesandApplications,byM.J.SienkoandA.Plane
3. FundamentalsofMolecularSpectroscopy,byC.N.Banwell
4. Engineering Chemistry (NPTEL Web‐book), by B. L. Tembe,Kamaluddin andM. S.Krishnan
5. PhysicalChemistry,byP.W.Atkins
6. OrganicChemistry:StructureandFunctionbyK.P.C.VolhardtandN.E. Schore, 5thEdition
7. EssentialsofPhysicalChemistry,Bahi&Tuli,S.ChandPublishing
8. IntroductiontoNanosciencebyS.M. Lindsay