From Bohr model to Quantum mechanics

Bohrs theory was a great accomplishment

and radically changed our view of matter.
But problems existed with Bohr theory
theory only successful for the H atom.
introduced quantum idea artificially.
So, we go on to QUANTUM or WAVE
MECHANICS
Quantum or Wave Mechanics
Light has both wave & particle
properties
de Broglie (1924) proposed that all
moving objects have wave
properties.
For light: E = hn = hc / l
L. de Broglie For particles: E = mc2 (Einstein)
(1892-1987)
Therefore, mc = h / l
and for particles
(mass)x(velocity) = h / l

l for particles is called the de Broglie wavelength

 WAVE properties of matter
Electron diffraction with
electrons of 5-200 keV
- Fig. 7.14 - Al metal
Davisson & Germer 1927

Na Atom Laser beams

l = 15 micometers (mm)
Andrews, Mewes, Ketterle
M.I.T. Nov 1996
The new atom laser emits pulses of coherent atoms,
or atoms that "march in lock-step." Each pulse
contains several million coherent atoms and
is accelerated downward by gravity. The curved
shape of the pulses was caused by gravity and forces
between the atoms. (Field of view 2.5 mm X 5.0 mm.) 4-ATOMLSR.MOV
 Quantum or Wave Mechanics
Schrodinger applied idea of e-
behaving as a wave to the
problem of electrons in atoms.
Solution to WAVE EQUATION
gives set of mathematical
expressions called
E. Schrodinger WAVE FUNCTIONS, Y
1887-1961
Each describes an allowed energy
state of an e-
Quantization introduced naturally.
 WAVE FUNCTIONS, Y
Y is a function of distance and two
angles.
For 1 electron, Y corresponds to an
ORBITAL the region of space
within which an electron is found.
Y does NOT describe the exact
location of the electron.
Y2 is proportional to the probability of
finding an e- at a given point.
Uncertainty Principle
Problem of defining nature of
electrons in atoms solved by
W. Heisenberg.
Cannot simultaneously define
the position and momentum
(= mv) of an electron.
Dx. Dp = h
At best we can describe the
W. Heisenberg position and velocity of an
1901-1976 electron by a
PROBABILITY DISTRIBUTION,
which is given by Y
2
Wavefunctions (3)

Y2 is proportional to the probability

of finding an e- at a given point.
4-S_ORBITAL.MOV
(07m13an1.mov)
 Orbital Quantum Numbers
An atomic orbital is defined by 3 quantum
numbers:
n l ml
Electrons are arranged in shells and
subshells of ORBITALS .
n shell
l subshell

ml designates an orbital within a subshell

 Quantum Numbers

Symbol Values Description

n (major) 1, 2, 3, .. Orbital size and

energy = -R(1/n2)

l (angular) 0, 1, 2, .. n-1 Orbital shape or

type (subshell)

ml (magnetic) -l..0..+l Orbital orientation

in space

Total # of orbitals in lth subshell = 2 l + 1

 Shells and Subshells
For n = 1, l = 0 and ml = 0
There is only one subshell and that
subshell has a single orbital
(ml has a single value ---> 1 orbital)
This subshell is labeled s (ess) and
we call this orbital 1s
Each shell has 1 orbital labeled s.
It is SPHERICAL in shape.
 s Orbitals
All s orbitals are spherical in shape.
 p Orbitals Typical p orbital

For n = 2, l = 0 and 1
There are 2 types of
orbitals 2 subshells
For l = 0 ml = 0 planar node

this is a s subshell When l = 1, there is

For l = 1 ml = -1, 0, +1 a PLANAR NODE
through the
this is a p subshell nucleus.
with 3 orbitals
p orbitals (2)

pz

px
90 o
py

The three p
orbitals lie 90o
A p orbital apart in space
 l= px py pz
p-orbitals(3)

n=

3
 d Orbitals
For n = 3, what are the values of l?
l = 0, 1, 2
and so there are 3 subshells in the shell.
For l = 0, ml = 0
s subshell with single orbital
For l = 1, ml = -1, 0, +1
p subshell with 3 orbitals
For l = 2, ml = -2, -1, 0, +1, +2
d subshell with 5 orbitals
 d Orbitals
typical d orbital
s orbitals have no planar planar node
node (l = 0) and
so are spherical.
p orbitals have l = 1, and
planar node
have 1 planar node,
and so are dumbbell
shaped. IN GENERAL
d orbitals (with l = 2) the number of NODES
have 2 planar nodes = value of angular
quantum number (l)
 Boundary surfaces for all orbitals of the
n = 1, n = 2 and n = 3 shells

n=
3d
3

There are
2 n2
orbitals in
the nth SHELL