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Lecture 02

The document provides information about textbook availability, TA office hours, discussion sessions, and exam dates for a course. It also includes some mathematical equations and discusses topics like the Bohr model, wave nature of electrons, uncertainty principle, quantum numbers, atomic orbitals, and radial distribution functions.

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yinglv
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© Attribution Non-Commercial (BY-NC)
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Download as PPT, PDF, TXT or read online on Scribd
49 views

Lecture 02

The document provides information about textbook availability, TA office hours, discussion sessions, and exam dates for a course. It also includes some mathematical equations and discusses topics like the Bohr model, wave nature of electrons, uncertainty principle, quantum numbers, atomic orbitals, and radial distribution functions.

Uploaded by

yinglv
Copyright
© Attribution Non-Commercial (BY-NC)
Available Formats
Download as PPT, PDF, TXT or read online on Scribd
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Textbooks

Should be in the bookstore by next week!



TA office hours

Bixby Commons
Monday (Lori Greene ), 1-3pm
Wedn. (Andrea Tao), 4-6 pm

Discussion Session

Every Monday, 5-7 pm.
Location: TBA

Exams

Exam 1: 10/09; Exam 2: 11/20; Final: 12/12

1
1
2 2
10824 , 97492 , 82259
109679
/ 1
)
1 1
(

=
=
=
=
cm v
Lyman
cm R
wavenumber
m n
R v
H
H
H

(n=1)
Rydberg constant
Bohr Model can NOT explain Zeeman effect.
The Zeeman effect is named after the Dutch physicist Pieter Zeeman.
shared the 1902 Nobel Prize with Hendrik Lorentz for his discovery of the Zeeman effect.

Dual Nature of Matter
Reading: MT 2, DG 1
1924, French physicist Louis de Broglie:
All matter possesses wave properties
p
h
mv
h
= =
Baseball: 200g
Speed: 3000cm/sec (67 miles/hour)
cm
32
10

=
Electron:

Same velocity
g
27
10

m 20 =
Experimental evidence: electron diffraction
Interference between two point waves

Wave Nature of Electron
The uncertainty principle
1927, Werner Heisenberg
It is impossible to know simultaneously both the
momentum and the position of a particle with
certainty.
t 4
) )( (
h
x p
x
> A A
s J h - =
34
10 62 . 6
Baseball: 200g
Speed: 3000 cm/sec (67 miles/hour)
Electron:

Same velocity
g
27
10

Accuracy: one part per trillion


cm x
cm g p
cm g p
21
1 7
1 5
10
sec 10 6
sec 10 6

= A
= A
=
cm x
cm g p
cm g p
9
1 36
1 24
10
sec 10 3
sec 10 3
= A
= A
=


Electron motion: wavefunction
Schrodinger wave equation (1926):
nergy potrntiale V
y totalenerg E
s Planck h
mass m
s coordinate z y x
ion eigenf unct on wavef uncti
E V
z y x m
h
:
:
' :
:
: , ,
/ :
) (
8
2
2
2
2
2
2
2
2



t
= +
c
c
+
c
c
+
c
c

.
.
=
H
E H
: Hamiltonian
operator
Converting to polar coordinates:
) , ( ) (
, , , ,
| u
l l
m l l n m l n
Y r R =
) (
,
r R
l n
) , (
,
| u
l
m l
Y
Radial part
Angular part
n=1,2,3,4.= principle quantum number

(1): determine the energy of the electron
(2): indicate approximately the effective volume of the orbital.
2 2 2
4 2 2
2
2 n
k
h n
e m
r
e
E
e
n
n
= = =
t
n=1 2 3
l= angular momentum (or shape) quantum number
0,1,2,3,4
s, p, d, f..
Determine general shape of the orbital
For each n, there are n possible angular momentum value
= magnetic/orbital orientation quantum number

Determine orbital spatial orientation
l
m
.... 3 , 2 , 1 , 0
For each l, there are 2l+1 possible value.
l
m
f orbitals
s orbital (l=0, m=0)

H 1s orbital:
)
2
1
)( 2 (
100
t

r
e

=
r
100

t
1
) , ( ) (
, , , ,
| u
l l
m l l n m l n
Y r R =
Probability Density
t

r
e
r P
2
2
100
) (

= =
r
2
100

t
1
This probability function gives the probability of
finding the electron at any point in space.
}
=
allspace
dV 1
2

What radius is it most probable to find the electron?


r
2
100

t
1
Is it at r=0?
t

r
e
r P
2
2
100
) (

= =
Most probable radius: r +dr
Volume of the thin shell with thickness dr
dr r
2
4t
2 2
2 2
4 ) ( /
4 ) ( Pr
r r R dr P
dr r r R obability
t
t
=
=
P/dr, radial distribution function (RDF)
compares the probability of finding electron at different r
H 1s orbital:
r r
e r e r RDF
2 2 2 2
16 ) 2 ( 4

= = t t
Most probable radius:
0
) (
=
c
c
r
RDF
unit: a0
Amplitude of the wavefunction: R(r)
Whenever the function changes sign, there is a
Radial Node:
Radius at which the probability of finding the electron
is zero.
No. of radial nodes=n-l-1
No. of radial nodes=n-l-1
Angular component: Y
No. of angular nodes =l
) , ( ) (
, , , ,
| u
l l
m l l n m l n
Y r R =
l=0 s orbital:
t 2
1
00
= Y
No angular dependence
Gerade (g): even with respect to inversion

Allowed
Only one spatial orientation for a sphere

0 angular node
0 =
l
m
pp26, MT
l=1 p orbital
u
t
cos
2
3
10
= Y
+
-
u
Ungerade (u) : odd with respect to inversion
Allowed
Three spatial orientations.

1 angular node
1 , 0 =
l
m
pp26, MT
l=2 d orbital
Gerade (g)
Allowed
Five spatial orientations.

2 angular nodes
| u u
t
cos sin cos
2 2
30
20
= Y
2 , 1 , 0 =
l
m
Contour diagram
Orbital depiction is based on
With the sign of indicted (very important for
bonding considerations)
2

3pz
All atomic orbitals (on same atom) are mutually orthogonal.
0
2 1
=
}
dV

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