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CH107 – Physical Chemistry  Atomic and molecular structure  Intermolecular forces & dynamics  Driving forces for equilibrium Instructor (D3): Prof. Arindam Chowdhury, Chemistry, Room 215 Phone: x-7154; 9969437094 Email: [email protected] [email protected]

CH107 – Physical Chemistry · 2015. 7. 6. · CH107 – Physical Chemistry • Atomic and molecular structure • Intermolecular forces & dynamics • Driving forces for equilibrium

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Page 1: CH107 – Physical Chemistry · 2015. 7. 6. · CH107 – Physical Chemistry • Atomic and molecular structure • Intermolecular forces & dynamics • Driving forces for equilibrium

CH107 – Physical  Chemistry

• Atomic and molecular structure• Intermolecular forces & dynamics• Driving forces for equilibrium 

Instructor (D3): Prof. Arindam Chowdhury, Chemistry, Room 215 Phone: x-7154; 9969437094

Email: [email protected] [email protected]

Page 2: CH107 – Physical Chemistry · 2015. 7. 6. · CH107 – Physical Chemistry • Atomic and molecular structure • Intermolecular forces & dynamics • Driving forces for equilibrium

CH107/ D3 Course InformationCH107/ D3 Course Information

Instructor: Arindam ChowdhuryInstructor: Arindam Chowdhury

Room No. 215; Department of Chemistry [email protected] (022)2576 7154

Course Secretary: Ms. Charine AstridCentral Facility, Chemistry Department

       Email: [email protected] 

Phone:    (022)2576 4159

Attendance, marks change and course related issues:

Page 3: CH107 – Physical Chemistry · 2015. 7. 6. · CH107 – Physical Chemistry • Atomic and molecular structure • Intermolecular forces & dynamics • Driving forces for equilibrium

CH­107 / D3 CH­107 / D3 

23 lectures and 7 tutorials (23 lectures and 7 tutorials (Attendance is mandetoryAttendance is mandetory))

Lectures at Hall 1 Lectures at Hall 1 

MondaysMondays 9.30,  9.30, Tuesdays Tuesdays 10.30 and 10.30 and Thursdays Thursdays 11.30 am11.30 am

17/0917/09    19/09        19/09     23/0923/09          24/0924/09    26/09     26/09 01/1001/10     03/10         03/10    07/1007/10            08/1008/10    10/10         10/10     14/1014/10          15/1015/10        17/10     17/10     21/1021/10            22/1022/10     24/10          24/10     28/1028/10          29/1029/10    31/10    31/1004/11     07/11      04/11     07/11      11/11       11/11       12/1112/11

Tutorials at Tutorials at LCT (31, 32, 33, 22, 23) LCT (31, 32, 33, 22, 23) on on MondaysMondays 2­3 pm 2­3 pm

23/0923/0907/10     14/10     21/10     28/1007/10     14/10     21/10     28/1004/11     11/1104/11     11/11

Page 4: CH107 – Physical Chemistry · 2015. 7. 6. · CH107 – Physical Chemistry • Atomic and molecular structure • Intermolecular forces & dynamics • Driving forces for equilibrium

CH­107/D3 CH­107/D3 

Tutorial venue and Teaching AssistantsTutorial venue and Teaching Assistants

D3/T1D3/T1 LCT­31LCT­31 Shekhar HansdaShekhar Hansda

D3/T2D3/T2 LCT­32LCT­32 Arindam ChowdhuryArindam Chowdhury

D3/T3D3/T3 LCT­33LCT­33 Tuhin KhanTuhin Khan

D3/T4D3/T4 LCT­22LCT­22 Avinash Kumar SinghAvinash Kumar Singh

D3/T5D3/T5 LCT­23LCT­23 Sandip KarSandip Kar

Emails and phone numbers to be providedEmails and phone numbers to be provided

Office hours : 2 hrs/week and mutually convenient timeOffice hours : 2 hrs/week and mutually convenient time

Page 5: CH107 – Physical Chemistry · 2015. 7. 6. · CH107 – Physical Chemistry • Atomic and molecular structure • Intermolecular forces & dynamics • Driving forces for equilibrium

CH­107 CH­107 

Time TableTime Table

Duration Duration  Half­semester  (~8 weeks)Half­semester  (~8 weeks)

Quiz Quiz  19 October 201319 October 2013

End­Semester ExamEnd­Semester Exam Anywhere between 18­29  Anywhere between 18­29  November 2013November 2013

TotalTotal 50 Marks50 Marks

Quiz Quiz  20 Marks20 Marks

End­Semester ExamEnd­Semester Exam 30 Marks30 Marks

Passing MarksPassing Marks 15 (To be followed strictly)15 (To be followed strictly)

Evaluation SchemeEvaluation Scheme

Page 6: CH107 – Physical Chemistry · 2015. 7. 6. · CH107 – Physical Chemistry • Atomic and molecular structure • Intermolecular forces & dynamics • Driving forces for equilibrium

Course Code CH 103 – SEM1SEM1

Course Name Chemistry

Total Grades Given are

416

Out of Which

AA+AB 44

BB 96

BC 95

CC 90

CD 49

DD 23

FR 19

Coursewise Statistics

Course Code CH 103 – SEM2SEM2

Course Name Chemistry

Total Grades Given are

452

Out of Which

AA +AB 22

BB 49

BC 71

CC 105

CD 89

DD 53

FR 63

GRADING STASTICSCoursewise Statistics

Page 7: CH107 – Physical Chemistry · 2015. 7. 6. · CH107 – Physical Chemistry • Atomic and molecular structure • Intermolecular forces & dynamics • Driving forces for equilibrium

Course Code CH 103 – SEM-SEM-11

Course Name Chemistry

Total Grades Given are

424Out of Which

AA+AB 57

AP 1

BB 72

BC 83

CC 64

CD 64

DD 36

FR 47

Coursewise Statistics

Course Code CH 103 – SEM-SEM-22

Course Name Chemistry

Total Grades Given are

462Out of Which

AA + AB 38

BB 49

BC 69

CC 82

CD 89

DD 48

FR 87

Coursewise StatisticsGRADING STASTICS

Page 8: CH107 – Physical Chemistry · 2015. 7. 6. · CH107 – Physical Chemistry • Atomic and molecular structure • Intermolecular forces & dynamics • Driving forces for equilibrium

Why should you study Chemistry?Is there a role of Chemistry inreshaping the modern world?

All of Science and Engineering is moving towards interdisciplinary fields of cutting­edge research!!!

 Knowing only one subject  often not good enough!

•   Nanoelectronics/Nanotechnology:  Molecular  Electronics•   Energy Science – “Solar Energy” conversion•   BioTechnology – Disease cure,  health,  medicine•   Atmospheric  Science – Go Green ­  “Save the World”

Page 9: CH107 – Physical Chemistry · 2015. 7. 6. · CH107 – Physical Chemistry • Atomic and molecular structure • Intermolecular forces & dynamics • Driving forces for equilibrium

Plastic  Electronics  and DisplaysConducting­polymers are replacing l iquid crystals

Page 10: CH107 – Physical Chemistry · 2015. 7. 6. · CH107 – Physical Chemistry • Atomic and molecular structure • Intermolecular forces & dynamics • Driving forces for equilibrium

Micro & Nano­electronics

1947, Transistor, Bell LabsSilicon Transistor, TI 1954 Intel, 1990s, hundreds of

Transistors in a single chip

Transistors, Intel, 2006, 45 nm separationNext Generation: Molecular Chips

Page 11: CH107 – Physical Chemistry · 2015. 7. 6. · CH107 – Physical Chemistry • Atomic and molecular structure • Intermolecular forces & dynamics • Driving forces for equilibrium

Mechanics  of  Electrons and Atoms

Nano-scienceAnd Nanotechnology

Mult-electron Atoms(Periodic Table)

Electron Microscopy

Intermolecular ForcesAnd Interactions

Multi-atomicBonding, Molecular

Structure

Biology, Materials Science

Condensed Matter Physics

Chemical ReactionsMolecular Dynamics

Atomic/MolecularSpectroscopy

Page 12: CH107 – Physical Chemistry · 2015. 7. 6. · CH107 – Physical Chemistry • Atomic and molecular structure • Intermolecular forces & dynamics • Driving forces for equilibrium

Contents of  Part­I  (14 Lectures )  • Origin of Quantization:   Lecture 1­4

Need of a new theory for electrons, atoms and moleculesPostulates of Quantum MechanicsEnergy Quantization:  Particle in a Potential Well

•Electronic Structure in Atoms:  Lecture 5­8Hydrogen Atom and Quantum NumbersAtomic Orbitals and Electron DensitiesMulti­electronic atoms and the implications of “Spin”

• Chemical Bonding:  Lectures 9­12Molecular Orbital Theory – Linear Combination of Atomic OrbitalsEnergetic and electronic structure of diatomic molecules

• Molecular­Electronic structure  Lecture 13­14       Bonding in polyatomics using hybridization

Page 13: CH107 – Physical Chemistry · 2015. 7. 6. · CH107 – Physical Chemistry • Atomic and molecular structure • Intermolecular forces & dynamics • Driving forces for equilibrium

Contents of  Part­II (9 Lectures )

• Intermolecular Forces and PE Surfaces

Lecture 15­16

• Reaction Dynamics and Kinetic theories

Lecture 17­19

• Driving Forces for Chemical reactions

Lecture 20­21

• Chemical Potential  and Equilibrium

Lecture 22­23

Page 14: CH107 – Physical Chemistry · 2015. 7. 6. · CH107 – Physical Chemistry • Atomic and molecular structure • Intermolecular forces & dynamics • Driving forces for equilibrium

Recommended Text• Physical Chemistry – I.N. Levine, 5th Ed.• Physical Chemistry – P.W. Atkins 2nd Ed.• Physical Chemistry: Molecular Approach ­ 

McQuarrie and Simon

Important Websites:CH107 Course Material for 2013And previous year’s power­point slides:www.chem.iitb.ac.in/academics/menu.php

and will be regularly updated in IITB Moodlehttp://moodle.iitb.ac.in

Page 15: CH107 – Physical Chemistry · 2015. 7. 6. · CH107 – Physical Chemistry • Atomic and molecular structure • Intermolecular forces & dynamics • Driving forces for equilibrium

Classical  EM theory can not explain Blackbody Radiation

Theories based on classical physics unable to explain temperaturedependence of emitted radiation (radiant energy density)

Sun, stars…hot iron rod

 All classical theories  led to the so called “Ultraviolet Catastrophe”

23

8( ) ; bk T cT d d

cνπρ ν ν ν ν

λ= =

Page 16: CH107 – Physical Chemistry · 2015. 7. 6. · CH107 – Physical Chemistry • Atomic and molecular structure • Intermolecular forces & dynamics • Driving forces for equilibrium

Max Planck assumed energies  of  osci l lators  are discontinuous

3

/( )

1v bv taT d

eνρ ν =

Assumption: Energy of electronic oscillators were discrete;Assumption: Energy of electronic oscillators were discrete;Proportional to integral multiple of frequenciesProportional to integral multiple of frequencies

E = Energy of electronic oscillatorsv = frequency of electronic oscillatorsh = Planck’s constant = 6.626 x e­34 joule­secNote: h came in as a fitting parameter

OscE nhν=

1858-1947

Planck never believed his theory was right, since he was a classical physicist

3

3 /

8( )1B

vh k T

h dT dc e νπ ν νρ ν

÷

=−

Page 17: CH107 – Physical Chemistry · 2015. 7. 6. · CH107 – Physical Chemistry • Atomic and molecular structure • Intermolecular forces & dynamics • Driving forces for equilibrium

Photoelectr ic  Effect

1. Increasing intensity of light increases number of photoelectrons, but not their max. kinetic energy (KEMAX)!

2. Light below a certain wavelength will not cause ejection of electrons, no matter how high it’s intensity!

3. Extremely weak violet light ejects few electrons! But their KEMax >> KEMax of electrons ejected by intense light of longer wavelength

0

20

( )

Wave Energy related

to

of

E E Sin kx t

Intensity E

Independent

ω

ω

= −

µ

Photodetectors, Photovoltaics, Elevator sensor, smoke detectors 

Experimental  Observations

Page 18: CH107 – Physical Chemistry · 2015. 7. 6. · CH107 – Physical Chemistry • Atomic and molecular structure • Intermolecular forces & dynamics • Driving forces for equilibrium

Einstein:   l ight behaves  l ike partic les  

2

0

Energy to remove e' from surface

1

2

0

P M

M

E hv KE mv

KE hv

φ φ

φφ

=

= = + = +

= − ≥

Borrowing Planck’s idea that ∆E=hv, Einstein further proposed radiation itself existed as small packets of energy (Quanta), known as PHOTONS

P

P

E

E h

νν

µ=

1879-1955; Nobel prizeFor explanation of Photoelectric effect

Energy of  photon isfrequency dependent(self  contradictory! )

Page 19: CH107 – Physical Chemistry · 2015. 7. 6. · CH107 – Physical Chemistry • Atomic and molecular structure • Intermolecular forces & dynamics • Driving forces for equilibrium

Line Spectra of  Atoms

Rydberg’s formula:

1 22 21 2

1 1 1; HR n n

c n n

ννλ

= = = − > ÷

RH = 109677.57 cm-1

1854-1919

Page 20: CH107 – Physical Chemistry · 2015. 7. 6. · CH107 – Physical Chemistry • Atomic and molecular structure • Intermolecular forces & dynamics • Driving forces for equilibrium

Bohr’s  Phenomenological  Model(Rutherford­Planck­Einstein­Bohr Model)

• Electrons rotate in circular orbits around      a central massive nucleus (+ve), and obey laws of classical 

mechanics.

• Allowed orbits are those for which the     electron’s angular momentum     mevr = n h/2π, n=1,2,3,4,…… • Only certain discrete energy values: “Stationary States” ­ 

Atom in such a state does not emit EM radiation (light)

• Transition from a stationary state (Ea) to another (Eb), atom emits or absorbs

     EM radiation (light)

1885-1962

Page 21: CH107 – Physical Chemistry · 2015. 7. 6. · CH107 – Physical Chemistry • Atomic and molecular structure • Intermolecular forces & dynamics • Driving forces for equilibrium

Explanation of  atomic spectra n=1,2,3,...

2(2 )

nhmvr

r nπ

π λ

=

=

4

2 2 2 2

1 1 , 1, 2,3,...

8e

i fi f

m eE h n n

h n nν

ε

∆ = − = = ÷ ÷

Spectral  Transitions:  ∆E=hc/λ

Explains Rydberg’s  Formula

4

2 2 20

1.

8e

n

m eE

h nε= −

Quantization of Angular momentum