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Contains Information about the Probability of finding the Quantum Mechanical Entity in a Certain State

For atom, know energy so is related to probability of finding electron at a certain point in space

Actually this is *

More on Orbitals

Wavefunctions for Atomic Orbitals can be divided into Two Parts

Radial (depends on distance from nucleus) Angular (depends on angles and )

Molecular shape Bonding

Nodes

Places where the Probability of finding the Electron is Zero ( = 0 so 2 = 0 ) When radial is zero, called a radial (or spherical) node

There are n - l - 1 radial nodes

There are l angular nodes

1s Radial Wavefunction

1.2 1.0

radial

(arbitrary units)

0.8

Z = 2 a 0

3/ 2

e Zr / a0

0.6

0.4

0.2

0.0 2 -0.2 4 6 8 10 12 14 16

1s Orbital

2s Radial Wavefunction

1.2 1.0

radial

(arbitrary units)

0.8

1 Z = 2 2 a0

3/ 2

Z 2 a0

r e Zr / 2 a0

0.6

0.4

0.2

0.0 2 -0.2 4 6 8 10 12 14 16

2s Orbital

3s Radial Wavefunction

1.2 1.0

radial

1 Z = 9 3 a0

3/ 2

(arbitrary units)

0.8

4Z 2Z 2 2 Zr / 3 a0 6 a r + 3a r e 0 0

0.6

0.4

0.2

0.0 2 -0.2 4 6 8 10 12 14 16

3s Orbital

10

Remember 2, not , is Probability

1.2

2 for 1s, 2s and 3s orbitals Note s orbitals have a non-zero probability of being found at the nucleus.

2 (arbitrary units)

11

0.10

1s

2 (arbitrary units)

0.08

2s

0.06

Note wherever there was a node 2 = 0, there is no probability that the electron can be found there.

0.04

0.02

0.00 0 2 4 6 8 10 12 14 16

12

Problem with 2, it over estimates Probability Close to Nucleus and under estimates it Further Out Correct by multiplying 2 by 4r2

Takes into account that a wedge is smaller toward the center than ends This correction only works for s orbitals

13

6

Electrons in orbitals with higher n are usually found further from nucleus. 2s 3s Note that 2s and 3s electrons have probability of being closer to nucleus than 1s!

4 r2 2 (arbitrary units)

1s

0 0 2 4 6 8 10 12 14 16

14

15

Every Time goes through a node Sign of Wavefunction changes

s orbital has same angular sign throughout p orbital lobes have different signs Lobes alternate signs in a d orbital

Difference in Phase

p orbital

d orbital

dz2 orbital

16

p Orbitals

Typical p orbital Typical p orbital

When n = 2, then ll = 0 and 1 When n = 2, then = 0 and 1 Therefore, in n = 2 shell there Therefore, in n = 2 shell there are 2 types of orbitals (2 are 2 types of orbitals (2 subshells) subshells) For ll = 0 ml l = 0 For = 0 m = 0 this is a s subshell this is a s subshell For ll = 1 ml l = --1, 0, +1 For = 1 m = 1, 0, +1 this is a p subshell this is a p subshell with 3 orbitals with 3 orbitals

17

p Orbitals

A p orbital

18

2p Radial Wavefunction

1.2

radial

1 Z = 4 6 a0

3/ 2

2Z a 0

r e Zr / 2 a0

1.0

(arbitrary units)

0.8

There are n - l - 1 = 2 - 1 - 1 = 0 radial nodes. Note that = 0 at x = 0. Only s orbitals have any probability density at the nucleus.

0.6

0.4

0.2

0.0 2 -0.2 4 6 8 10 12 14 16

19

2px Orbital

20

2py Orbital

10

21

2pz Orbital

22

Degenerate 2p Orbitals

All 3 orbitals have the same energy (n and l), but differ in orientation (ml)

11

23

3p Radial Wavefunction

0.10

radial

0.08

1 Z = 27 6 a0

3/ 2

2 Z 2 Z 4 3a r a 0 0

r e Zr / a0

0.06

radial ((Z/a0)3/2)

0.04

0.02

0.00 5 -0.02 10 15

20 25 30

-0.04

24

3px Orbital

12

25

3py Orbital

26

3pz Orbital

13

27

d Orbitals

When n = 3, what are the values of l? l = 0, 1, 2 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

28

d Orbitals

typical d orbital planar node

planar node

s orbitals have no planar nodes (l = 0) and are spherical. p orbitals have l = 1, have 1 planar node, and are dumbbell shaped. This means d orbitals (l = 2) have 2 planar nodes

14

29

3d Radial Wavefunction

0.05

0.04

radial

radial ((Z/a0)3/2)

1 Z = 81 30 a0

3/ 2

2 Zr Zr / 3a0 a e 0

0.03

0.02

0.01

0.00 0 5 10 15 20 25 30 35

30

3dxy Orbital

15

31

3dxz Orbital

32

3dyz Orbital

16

33

3dz2 Orbital

34

3dx2-y2 Orbital

17

35

d Orbitals

36

f orbitals

When n = 4, l = 0, 1, 2, 3 so there are 4 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 For l = 3, ml = -3, -2, -1, 0, +1, +2, +3

18

37

f orbitals

19

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