CHM102A
Homogeneous Catalysis
Lecture 10
CHM102A
Heterogeneous Catalysis
Lecture 10
CHM102A
Lecture 10
CHM102A
Lecture 10
CHM102A
Lecture 10
Turnover Frequency (TOF) or Turnover Rate  the
number of passes through the catalytic cycle per un
CHM 102A 201213 SemII (Lectures 9)
Lectures 9
Multi Electron Atom and Electron Spin
!" ! = 1
P(r)!" = ! 1
!
!
!
2!
2!
!
!
!
!
!
In general, Number of radial nodes = 1
Shape of porbital
!
!
!"# 2! = . . ! . cos
Beca
CHAPTER 5
The Harmonic' Oscillator and the Rigid
Rotator: Two Spectroscopic Models
The vibrational motion of a diatomic molecule can be approximated as a harmonic
oscillator. In this chapter, we will rst study a classical harmonic oscillator and then
pr
Semen mmdthamnkbMamtoMOrnPamdamm 127
6.3 IEWGIONOFMWM
TOMOWPROILEMS
Thehydrogen atom oontalnatwopartieleathe proton and the electron. Fora system of
twopaudealandZwithcootdinatea (tuna) and (x;.y,.z;). the potential energyof
intenedonbetweeutheparddeaiuw
CHAPTER 1
The Dawn of the Quantum Theory
Toward the end of the nineteenth century, many scientists believed that all the funda
mental discoveries of science had been made and little remained but to clear up a few
minor problems and to improve experimen
CHM 102A 201213 SemII (Lectures 6)
Lectures 6
1D Harmonic Oscillator and Rigid Rotor
Let us have a close look on the ground state
1
1
= !
2
2
=
=
!
!
=
1
2
1
Classically, maximum displacement =
!"
!
occur when al
6.6263(10'3 Is
2 x (9.109 x 1031 kg) at (1.609 x 1019 c) x (4.0 x 10 Vii'
Comment The are length of 6.1 pm is shorter than typical bond lengths in moleculu
(about 100 pm). El rons accelerated in this way are used in the technique of electron
diffracti
Lecture # 3
A single particle of mass m is
moving in the dimension x and
subject to the potential energy
given in the figure.
V=
V=
V=0
X
L
0
V = 0 for 0 x L
V = for x < 0 and x > L
Since the particle has finite energy, it will not be found in the region
Lecture # 12 and13
Helium atom:
Helium atom consists of two electrons and a nucleus.
Separation of the translational energy of the atom as a whole
r12

e (1)

e (2)
From the internal motion is complicated and is omitted. Since,
He is heavier than hydrog
CHM102A Assignment2
1. The rotation of the HI molecule can be pictured as a Hatom rotating
about a stationary I atom in a circle with a radius of 160 pm. If the
rotation takes place in a plane, calculate the first three energy levels
and write their cor
CYL 120 : Tutorial SheetsInorganic Chemistry (2012, I SEM)
Week 1: Revision of basic concepts in transition metal complexes
[Importance of metal complexes in catalysis and bioinorganic chemistry; Types of ligands,
Shapes of d orbitals, Common geometries
Coordination Complexes in Biological Systems
Porphyrins are heterocyclic macrocycles composed
of four modified interconnected pyrrole subunits.
They form coordination complexes with metal ions
and are found in biological systems.
Porphyrin
Chlorophyll c2
Home Assignment 1
Problems
1. a) Give the oxidation number, number of electrons in the dorbital and coordination number
of the central metal ion in the following complexes.
i) K3[Co(C2O4)3]
ii) (NH4)2[CoF4]
iii) diamagnetic [NiCl2cfw_P(C6H5)32]
iv) cis
Reactivity of Saturated Organic Compounds
Nucleophilic Substitution Reactions
Nucleophiles (Nu): A chemical species that has a pair of electrons, which could be
shared with an electron deficient species. Nucleophiles can be neutral molecules or
ionic spec
Answers
1. It will be similar to that of ethane, except that the maxima will be at 3.6 kcal/mol (16 kJ/mol),
while it is 2.9 kcal/mol (12 kJ/mol) for ethane.
2.
3.
4.
5. [] = (observed) / (c l)
= 5.0 / [(0.5 g/10 mL)( 2.0 dm) ]
= 5.0/[(0.05 g/mL)(2.0 dm
 Average Oscillator Energies in the Planck Blackbody Distribution Curve
WhginFigureZJ, istheaverageenergyperoaciatorsolmvforthehighhequency
I oscillators? Equation 2.13 my be used to compute the average energies for photons
. '_ on the low frequency side
10.
11.
12.
CHM102A Assignment3
. Calculate the numerical value for the Bohr radius a0 = 712 (411'60)/mee2
in 21. i Calculate the numerical value of the potential energy of the
Hatom when r230. Calculate the ground state energy of the Hatom
by substitut
Color of Transition Metal Complexes
The variety of color among transition metal complexes has long fascinated the chemists.
For example, aqueous solutions of [Fe(H2O)6]3+ are red, [Co(H2O)6]2+ are pink,
[Ni(H2O)6]2+ are green, [Cu(H2O)6]2+ are blue and [Z
Bonding in Metal Complexes
Valence Bond Theory
This theory was developed by Pauling. The model utilizes
hybridization of metal valence orbitals to account for the observed
structures and magnetic properties of complexes. Pauling
suggested that (n1)d, ns
CHM102A
Lecture 12
CHM102A
Hemoglobin and Myoglobin
oxygen uptake and transport
Lecture 12
Lecture 12
CHM102A
Notice that the hemoglobin is essentially
a tetramer of myoglobin, viz., there are
four myoglobin like units in hemoglobin.
CHM102A
Active site o
Polymerization & Metathesis
Polymerization is the reaction of an unsaturated organic reactant,
typically a C=C, with itself over and over again to produce a polymer
chain:
*
n
*
n
When only a few alkenes couple together to make a short chain, we refer
to
D. H. R.BARTON
The principles of conformational analysis
Nobel Lecture, December 11, 1969
The importance of conformational analysis in Chemistry became manifest
during the decade immediately after the last World War. This lecture is,
therefore, more an ac
5
Ste reochem i stry
Stereochemistry is the study of the threedimensional structure of molecules. No one
can understand organic chemistry, biochemistry, or biology without using stereochem
istry. Biological systems are exquisitely selective, and they oft
Lecture 5
Particle in 3D Box and Harmonic
Oscillator
5.1
Particle in a ThreeDimensional Box
Here,
V ( x, y, z) =
0
if 0 < x < L x , 0 < y < Ly , and 0 < z < Lz
(5.1)
otherwise
h 2 2
h 2 2
h 2 2
H =
2m x2 2m y2 2m z2
2
h 2
2
2
+
+
=
2m x2 y2 z2
h 2
Lecture 2
Schrdinger Equation
2.1
The Schrdinger Wave Equation (1926)
Heisenberg and Schrdinger have independently developed theories that looked very
different, but correctly account for the wave like properties of microscopic systems.
Here we will consi
Lecture 3
Particle in a Box
In the coming few chapters, we will solve Schrdinger equation (SE) for various simple
model systems (with increasing complexity).
The recipe for solving SE is as follows:
Define the potential energy function (system dependent)
Lecture 1
Introduction to Quantum Mechanics
Important Notes:
Reference books:
Physical Chemistry, by P. Atkins and J. de Paula
Physical Chemistry, by I. N. Levine
Physical Chemistry; A Molecular Approach, by D. A. McQuarrie and J. D.
Simon
Memorize t
Lecture 4
Particle in 2D Box
4.1
Particle in a TwoDimensional Box
Let us consider a particle within a two dimensional box, defined by the wall po
y
Ly
tentials
V ( x, y) =
0
V =0
if 0 < x < L x & 0 < y < Ly
V =1
(4.1)
otherwise
0
Lx
x
You can visuali