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You are on page 1of 42

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

properties exactly

2

Measuring the position and

momentum of an electron

Shine light on electron and detect reflected

is given by the wavelength of the

light

accurately, it is necessary to use

light with a short wavelength

3

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

electron must only be given a small kick

4

Fundamental Trade Off …

Use light with short wavelength:

momentum

position

5

Planck’s Distribution

– Quantization of energy

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

6

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

7

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.

8

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)

to infinity

• For the electron ejection , hν > Φ required.

9

Wave-Particle Duality

-The particle character of wave

• Photoelectric effect

10

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)

11

Wave Particle Duality

• De Brogile Relation

(1924)

– Any particle traveling with a linear

momentum p haspwave

Matter wave: = mvlength

= h/l

momenta (large p)

small wave length

wave like properties are not observed

12

Schrödinger equation

– Describe a particle with wave function

– Wave function has full information about the

particle

for a particle in one dimension

13

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.

14

Schrodinger Equation

General form

HY = E Y

H= T + V

: Hamiltonian

operator

15

The Schrodinger equation:

=

energy energy energy

• what are the possible (x)?

• What are the corresponding E?

16

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

17

Normalization

When ψ is a solution, so is Nψ

proportionality of Born becomes equality

N 2 * dx 1

dx 1

* Normalization const. are

already contained in wave

*

dxdydz d 1

* function

18

Quantization

Energy of a particle is

quantized

Acceptable energy can be found

energies of particles

19

The information in a wavefunction

Simple case

2 d 2

2

E

2m dx

Solution

k 2 2

Aeikx Be ikx E

2m

20

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

22

Quantum Mechanics and Atomic Orbitals

The first orbital of all elements is spherical.

by 4 quantum numbers: n,l,ml,ms. All are integers except ms

a shell = n2.

the subshell shape.

Common usage for l = 0, 1, 2, 3, 4, and use s, p, d, f, g,...

respectively.

Subshell described as 1s, 2s, 2p, etc.

23

Magnetic quantum number,ml, (allowed l to +l )

directionality of an l subshell orbital.

Total number of possible orbitals is 2l+1.

respectively.

induced magnetic fields from rotating electrons.

can have the same four quantum numbers.

24

Permissible Quantum States

25

Orbital energies of the hydrogen atom.

26

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).

27

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

28

Shape of 1s Orbital

29

Shape of 2p Orbital

30

Shape of 3d Orbitals

31

Elements

and

Their

Electronic

Configurations

32

Electron Configuration

ground state.

Need to learn some simple rules or principles.

33

Rules are…

Aufbau principle

Pauli’s exclusion principle

Hund’s Rule

34

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.

35

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.

37

Hund’s Rule

Equivalent orbitals of equal

energy are each occupied by

one electron before any one

orbital is occupied by a

second electron.

38

Hund’s Rule (cont.)

occupied orbitals have

the same spin.

39

Writing Electron Configurations

40

Standard Notation

Number of electrons

of Fluorine in the sub level 2,2,5

1s 2 2s2 2p5

Sublevels

41

Thank You

42

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