Dr Sumana Dutta. Department of Chemistry

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1 CH101 Chemistry Dr Sumana Dutta Room No. CHF101, Department of Chemistry

2 CH101 Chemistry ( ) Physical Chemistry Structure and Bonding; Origin of quantum theory, postulates of quantum mechanics; Schrodinger wave equation: operators and observables, superposition theorem and expectation values, solutions for particle in a box, harmonic oscillator, rigid rotator, hydrogen atom; Selection rules of microwave and vibrationalspectroscopy; Spectroscopic term symbol; Molecular orbitals: LCAO-MO; Huckel theory of conjugated systems; Rotational, vibrational and electronic spectroscopy; Chemical Thermodynamics: The zeroth and first law, Work, heat, energy and enthalpies; The relation between C v and Cp; Second law: entropy, free energy (the Helmholtz and Gibbs) and chemical potential; Third law; Chemical equilibrium; Chemical kinetics: The rate of reaction, elementary reaction and chain reaction; Surface: The properties of liquid surface, surfactants, colloidal systems, solid surfaces, physisorption and chemisorption; Inorganic Chemistry The periodic table of elements; Shapes of inorganic compounds; Chemistry of materials; Coordination compounds: ligand, nomenclature, isomerism, stereochemistry, valence bond, crystal field and molecular orbital theories; Bioinorganic chemistry and organometallic chemistry; Organic Chemistry Stereo and regio-chemistry of organic compounds, conformers; Pericyclic reactions; Organic photochemistry; Bioorganic chemistry: Amino acids, peptides, proteins, enzymes, carbohydrates, nucleic acids and lipids; Macromolecules (polymers); Modern techniques in structural elucidation of compounds (UV-vis, IR, NMR); Solid phase synthesis and combinatorial chemistry; Green chemical processes. Texts: 1. P. W. Atkins, Physical Chemistry, 5th Ed., ELBS, C. N. Banwell, and E. M. McCash, Fundamentals of Molecular Spectroscopy, 4th Ed., Tata McGraw-Hill, F. A. Cotton, and G. Wilkinson, Advanced Inorganic Chemistry, 3rd Ed., Wiley Eastern Ltd., New Delhi, 1972, reprint in D. J. Shriver, P. W. Atkins, and C. H. Langford, Inorganic Chemistry, 2nd Ed., ELBS, S. H. Pine, Organic Chemistry, McGraw-Hill, 5th Ed., 1987 References: 1. I. A. Levine, Physical Chemistry, 4th Ed., McGraw-Hill, I. A. Levine, Quantum Chemistry, EE Ed., prentice Hall, G. M. Barrow, Introduction to Molecular Spectroscopy, International Edition, McGraw-Hill, J. E. Huheey, E. A. Keiter and R. L. Keiter, Inorganic Chemistry:Principle,structure and reactivity, 4th Ed,Harper Collins, L. G. Wade (Jr.), Organic Chemistry, Prentice Hall, 1987.

3 General Instructions Slot: B and B1 Venue: Lecture Hall L1 (Div I & III) L2 (Div II & IV) Divisions Div I : 159 students (ME & CE) Div II : 166 students (ECE, EEE, BT) Div III:172 students (CSE, EPH,M&C) Div IV: 159 students(cl, CST, DD) Division - I & II: Classes in the morning (9 am - 12 noon) Division - III & IV: Classes in the afternoon (2 pm 5 pm)

4 Evaluation and grading 2 Quizes: 2 x 10 = 20 % weightage (40 min each) Midsem exam: 30 % weightage (2 h) Endsem exam: 50 % weightage (3 h) Grades AA:> 90% AB: >80% BB: >70% BC: >60% CC: >50% CD: >40% DD: >30% F: <30% Extraordinarily bright students have a chance to secure AS grade!

5 Rules Students are expected to attend all classes. A student will be debarred from appearing in an end- semester examination if his/her attendance falls below 75 percent and will be awarded an F grade in that course. You should attend all the Tutorials.. they are not the same as previous years! No examination/quiz/tutorial will be repeated.

6 Physical Chemistry Chemical Thermodynamics Gases: a review. The zeroth and first law, Work, heat, energy and enthalpies; The relation between Cv and Cp; Second law: entropy, free energy (the Helmholtz and Gibbs) and chemical potential; Third law; Chemical equilibrium TEXT: P. W. Atkins, Physical Chemistry, 5th Ed., ELBS, (or any other editions, e.g. 9th Ed.) Chemical Kinetics The rate of reaction, elementary reaction and chain reaction TEXT: P. W. Atkins, Physical Chemistry, 5th Ed., ELBS, (or any other editions, e.g. 9th Ed.) G. W. Castellan, Physical Chemistry, 3rd Ed., Narosa Publishing House, (or later editions) Or any basic Physical Chemistry text Quantum Mechanics: Structure and Bonding; Origin of quantum theory, postulates of quantum mechanics; Schrodinger wave equation: operators and observables, superposition theorem and expectation values, solutions for particle in a box, harmonic oscillator, rigid rotator, hydrogen atom; Selection rules of microwave and vibrationalspectroscopy; Spectroscopic term symbol; Molecular orbitals: LCAO-MO; Huckel theory of conjugated systems; Rotational, vibrational and electronic spectroscopy TEXT: P. W. Atkins, Physical Chemistry, 5th Ed., ELBS, (or any other editions, e.g. 9th Ed.) Surface: Properties of liquid surface, surfactants, colloidal systems, solid surfaces, physisorption and chemisorption

7 Websites: Very important instruction Magnitude of a physical quantity written without units is incomplete and incorrect. (In an examination it will be treated as wrong answer and not granted any marks). Use SI units.

8 Properties: Gases: A quick review Gases expand to fill any container: random motion, no attraction Gases are fluids (like liquids): no attraction Gases have very low densities: almost no volume = lots of empty space Gases can be compressed: almost no volume = lots of empty space Gases undergo diffusion & effusion: random motion Physical Measures V: volume of gas p: pressure exerted by the gas on the walls of the container T: Temperature of the gas n: amount (mass) of gas

9 Boyle s Law p n,t constant Charles Law V V n,p constant T

10 Gay-Lussac s Law n,v constant p T Combined Gas Law n constant p 1 V 1 T 1 = p 2V 2 T 2

11 Avogadro s Hypothesis Equal volumes of gases at the same T and P have the same number of molecules V n V p,t constant n Ideal gas Law pv nt => pv=nrt R: universal gas constant R = JK -1 mol -1

12 Partial Pressure In a mixture of gases p i = n irt = n trt V V =p p i is the partial pressure of i th gas

13 Ideal gas Properties of molecules/atoms of an ideal gas Has no volume Undergo elastic collisions Are in constant, random, straight-line motion Do not attract or repel each other Have an average KE directly related to Kelvin temperature Real Gases Properties of the molecules/atoms in a real gas Have their own volume Attract each other

14 van der Waals equation of state V b p+ a V 2 =RT a and b are vd Waals constants 0 N b

CHEM 231. Physical Chemistry I NJIT Fall Semester, Prerequisites: Chem 126 or 123, Phys 111 Co requisite: Math 211

CHEM 231. Physical Chemistry I NJIT Fall Semester, Prerequisites: Chem 126 or 123, Phys 111 Co requisite: Math 211 CHEM 231 Physical Chemistry I NJIT Fall Semester, 2017 Prerequisites: Chem 126 or 123, Phys 111 Co requisite: Math 211 Textbook: Chapters to be covered: Instructor: Goals: Prerequisites: Course Outline: