Professional Documents
Culture Documents
STRUCTURE
Presented By:
Dr. Vatsala Soni
1
Heisenberg Uncertainty Principle
In the world of very small particles, one cannot measure any
property of a particle without interacting with it in some way
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Measuring the position and momentum
of an electron (cont’d)
By Planck’s law E = hc/λ, a photon with a short wavelength has a
large energy
4
Fundamental Trade Off …
Use light with short wavelength:
momentum
position
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Planck’s Distribution
E nh , n 0,1,2,...
Max Planck
• Planck’s distribution
8hc
dE d
5 (e hc / kT 1)
• At high frequencies approaches the Rayleigh-Jeans
law
hc hc
(e hc / kT 1) (1 ....) 1
kT kT
• The Planck’s distribution also follows Stefan-
Boltzmann’s Las
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Wave-Particle Duality
-The particle character of wave
• Particle character of electromagnetic radiation
– Observation :
• Energies of electromagnetic radiation of frequency v
can only have E = 0, h, v 2hv, …
(corresponds to particles n= 0, 1, 2, … with energy = hv)
– Particles of electromagnetic radiation : Photon
– Discrete spectra from atoms and molecules can be explained
as generating a photon of energy hn .
– ∆E = hv
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Wave-Particle Duality
-The particle character of wave
• Photoelectric effect
– Ejection of electrons from metals when
they are exposed to UV radiation
– Experimental characteristic
• No electrons are ejected, regardless
of the intensity of radiation, unless UV electrons
its frequency exceeds a threshold
value characteristic of the metal.
• The kinetic energy of ejected
electrons increases linearly with the
frequency of the incident radiation
but is independent of the intensity of Metal
the radiation .
• Even at low light intensities, electrons
are ejected immediately if the
frequency is above threshold.
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Wave-Particle Duality
-The particle character of wave
• Photoelectric effect
– Observations suggests ;
• Collision of particle – like projectile that carries energy
• Kinetic energy of electron = hν - Φ
Φ : work function (characteristic of the meltal)
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Wave-Particle Duality
-The particle character of wave
• Photoelectric effect
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Wave-Particle Duality
-The wave character of particles
• Diffraction of electron beam from metal
surface
– Davison and Germer (1925)
– Diffraction is characteristic property of
wave
– Particles (electrons) have wave like
properties !
– From interference pattern, we can get
structural information of a surface
LEED (Low Energy Electron Diffraction)
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Wave Particle Duality
• De Brogile Relation
(1924)
– Any particle traveling with a linear
momentum p haspwave
Matter wave: = mvlength
= h/l
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Schrödinger equation
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Schrodinger Wave Equation
In 1926 Schrodinger wrote an equation that
described both the particle and wave nature of the e-
Wave function (Y) describes:
1. energy of e- with a given Y
2. probability of finding e- in a volume of space
Schrodinger’s equation can only be solved exactly
for the hydrogen atom. Must approximate its
solution for multi-electron systems.
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Schrodinger Equation
General form
HY = E Y
H= T + V
: Hamiltonian
operator
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The Schrodinger equation:
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For a free particle, U(x) = 0, so
2 2
(x) Ae ikx k
E
2m
Where k = 2
= anything real = any value from
0 to infinity
The free particle can be found anywhere, with
equal probability
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Normalization
When ψ is a solution, so is Nψ
N 2 * dx 1
dx 1
* Normalization const. are
already contained in wave
*
dxdydz d 1
* function
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Quantization
Energy of a particle is
quantized
Acceptable energy can be found
energies of particles
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The information in a wavefunction
Simple case
2 d 2
2
E
2m dx
Solution
k 2 2
Aeikx Be ikx E
2m
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Probability Density
B=0
A
2 2
Ae ikx
A=0
B
2 2
Be ikx
A=B
4 A cos 2 kx
2
2 Acos kx
21
nodes
Eigenvalues and eigenfucntions
Eigenvalue equation
̂
Operator
Eigenfunction Eigenvalue
23
Magnetic quantum number,ml, (allowed l to +l )
directionality of an l subshell orbital.
Total number of possible orbitals is 2l+1.
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Permissible Quantum States
25
Orbital energies of the hydrogen atom.
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Shapes of orbitals (electron
probability clouds)
s orbitals are spherical (1).
p orbitals are dumbbell shaped (3).
d orbitals have four lobes (5).
f orbitals are very complex (7).
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Orbital Energies of Multielectron Atoms
All elements have the same number of orbitals (s,p,
d, and etc.).
In hydrogen these orbitals all have the same energy.
In other elements there are slight orbital energy
differences as a result of the presence of other
electrons in the atom.
The presence of more than one electron changes
the energy of the electron orbitals
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Shape of 1s Orbital
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Shape of 2p Orbital
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Shape of 3d Orbitals
31
Elements
and
Their
Electronic
Configurations
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Electron Configuration
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Rules are…
Aufbau principle
Pauli’s exclusion principle
Hund’s Rule
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Aufbau Principle
German for building up.
An electron occupies the lowest-energy orbital
that can receive it.
In Hydrogen, the electron goes into the 1s orbital
because it’s the lowest energy orbital.
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A general rule --
they arrange
themselves to have
the lowest possible
energy.
Ground State
Configuration
36
Pauli Exclusion Principle
No two electrons in the same atom can have the same
set of four quantum numbers.
Each electron in the same atom has a unique set of
quantum numbers.
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Hund’s Rule
Equivalent orbitals of equal
energy are each occupied by
one electron before any one
orbital is occupied by a
second electron.
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Hund’s Rule (cont.)
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Writing Electron Configurations
40
Standard Notation
Number of electrons
of Fluorine in the sub level 2,2,5
1s 2 2s2 2p5
Sublevels
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Thank You
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