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3.

2-04
ATOMIC ORBITAL

An orbital is a three-dimensional region in space


around the nucleus where there is a high
probability of finding an electron.
3.2-07
QUANTUM NUMBER
For H atom, an atomic orbital is specified by 4
quantum numbers :

Principal quantum number (n)

indicates the energy level of the electron)


Angular momentum quantum number (ℓ)
indicates the shape of the orbital
Magnetic quantum number (m)
describes the orientation of the orbital in space
Electron spin quantum number (s)

represents the spin direction of electron on its own


axis
PRINCIPAL QUANTUM NUMBER (n)
The value of n determines the size and energy of
an atomic orbital.
The principal quantum number may have only
positive integers: n= 1,2,3……,∞

n 1 2 3 4
Orbital
size

Energy Increase
Orbital size:
3s > 2s > 1s
3.2-10
ANGULAR MOMENTUM QUANTUM NUMBER (ℓ)
Also called azimuthal / subsidiary / orbital
quantum number
ℓ = An integer from 0 to (n – 1)
Indicates shape and type of orbital
n determine ℓ

n ℓ Subshell
1 0 1s Note :

2 0 2s ℓ orbital z

1 2p 0 s x
sphere
y

3 0 3s z

p
x

3p 1 y dumbbell
1 z

2 3d 2 d y cloverleaf
MAGNETIC QUANTUM NUMBER (m)
m = an integer from –ℓ through 0 to +ℓ

Indicates the orientation of the orbital in the space


around the nucleus

m depends on the value of ℓ

1 possible orbitals
EXAMPLE: ( s subshell) 3 possible orbitals
( p subshell)
ℓ=0 m=0
5 possible orbitals
ℓ=1 m = –1, 0 , +1
( d subshell)
ℓ=2 m = –2, –1, 0 , +1 , +2
3.2-31
ELECTRON–SPIN QUANTUM NUMBER (s)
determines the direction of spinning motions
of an electron

Two possible motions of an electron


 clockwise and anti–clockwise

value of s: +½ and –½
3.2-18
Each allowed combination of n, ℓ and m values
specifies one atomic orbital
 size (energy), shape and spatial orientation

n l m Orbitals Number of Number


(name) orbitals of e-

1 0 0 1s 1 2
0 0 2s 1 2
2
1 -1, 0, +1 2p 3 6
0 0 3s 1 2
3 1 -1, 0, +1 3p 3 6
2 -2, -1, 0, +1, +2 3d 5 10
3.2-13
POINT TO REMEMBER
Hierarchical relationship:

limits limits
n ℓ m
EXAMPLE:
n=2 possible ℓ values = 0 , 1

ℓ=1 possible m values = – 1 , 0 , +1

ℓ=0 possible m values = 0

max no. of e = 2n2


SHAPE OF ATOMIC ORBITAL

s orbital
 The s orbital is represented by l = 0
 It has spherical shape with the nucleus at the
centre.

 The l =0 , there is only one value of m = 0,


which refer to one s orbital
 The size of s orbital becomes larger as the
value of n increases
SHAPE OF s ORBITAL
The size of s orbital with different values of n

2s
SHAPE OF ATOMIC ORBITAL

p orbital
 The p orbitals are represented by l = 1
 Each p orbitals has dumbbell shaped and
separated by a node at the nucleus
 The l =1 , there are three possible values of
m = -1,0,+1, which refer to three p orbitals,
( px , py , pz )

 As n increases, the p orbitals get larger


SHAPE OF p ORBITAL

Px Py Pz
SHAPE OF ATOMIC ORBITAL

d orbital

 The d orbitals are represented by l = 2

 All the d orbitals do not look alike.

 There are five possible m values: -2,-1, 0, +1, +2,


which correspond to five d orbitals with five
different orientations:

d xy , d yz , d xz , d x2 -y2 , d z2
SHAPE OF d ORBITAL
SHAPE OF d ORBITAL
EXAMPLE 1

Specify the ℓ and m values for n = 4.

When, n = 4
ℓ = 0, 1, 2, 3
ℓ m
0 0
1 -1,0,+1
2 -2,-1,0,+1,+2
3 –3, –2, –1, 0, +1, +2, +3
EXAMPLE 2

Give all possible m values for orbitals that have


each of the following:

a) ℓ = 2
b) n = 1
c) n = 4 , ℓ = 3
EXAMPLE 2

a) When ℓ = 2,
Possible values of m = -2, -1, 0, +1, +2

b) When n = 1 ℓ=0
ℓ = 0 Possible values of m = 0

c) When n = 4 ℓ=3
ℓ=3
Possible values of m = -3, -2, -1, 0, +1, +2, +3
EXAMPLE 3
Give the name, magnetic quantum numbers, and
number of orbitals for each subshell with the
following quantum numbers:

a) n=3, ℓ=2
b) n=2, ℓ=0
c) n=5, ℓ=1
d) n=4, ℓ=3
EXAMPLE 3

n ℓ Name Possible m values Number


of orbital of orbitals
a) 3 2 3d –2, –1, 0, +1, +2 5

b) 2 0 2s 0 1

c) 5 1 5p –1, 0, +1 3

d) 4 3 4f –3,–2, –1, 0, +1, +2, +3 7


EXAMPLE 4
Are the following quantum number
combinations allowed?
If not, show two ways to correct them.

a) n = 1; ℓ = 0; m = –1
b) n = 4; ℓ = 3; m = –1
c) n = 3; ℓ = 1; m= 0
d) n = 5; ℓ = 2; m = +3
EXAMPLE 4

a) n = 1; ℓ = 0; m = –1

When n = 1; ℓ = 0

ℓ = 0; m = 0 m ≠ –1
So, the combination is not allowed.

Correction:

n = 1; ℓ = 0; m = 0

or
n = 2; ℓ = 1; m = –1
EXAMPLE 4

b) n = 4; ℓ = 3; m = –1

When n = 4; ℓ = 0, 1, 2, 3

ℓ = 3; m = –3, –2, –1, 0, +1, +2, +3


So, the combination is allowed.

c) n = 3; ℓ = 1; m = 0

When n = 3; ℓ = 0, 1, 2

ℓ = 1; m = –1, 0, +1
So, the combination is allowed.
EXAMPLE 4

d) n = 5; ℓ = 2; m = +3

When n = 5; ℓ = 0, 1, 2, 3, 4

ℓ = 2; m = –2, –1, 0, +1, +2 m ≠ +3


So, the combination is not allowed.

Correction:

n = 5; ℓ = 2; m = +2

or
n = 5; ℓ = 3; m = +3

Note: You may have another answers!


EXAMPLE 5

For the following subshells give the values


of the quantum numbers (n, ℓ, m) and the
number of orbitals in each subshell:

a) 3p
b) 6s
c) 5d
d) 4f
EXAMPLE 5

a) 3p
n = 3, ℓ = 1 , m = –1, 0 , +1 (3 orbitals)

b) 6s
n = 6, ℓ = 0 , m = 0 (1 orbital)

c) 5d
n = 5, ℓ = 2 , m = –2, –1 , 0 , +1, +2 (5 orbitals)

d) 4f
n = 4, ℓ = 3 , m = –3, –2, –1, 0, +1, +2, +3 (7 orbitals)
EXAMPLE 6

Write the four quantum numbers for an electron


in a 3s orbital?
3s orbital: n = 3; ℓ = 0; m = 0
Each electron can have s values: –½ , +½
Set of four quantum numbers: ( n, ℓ, m, s)
Two possible ways:
n =3 n =3
ℓ=0 ℓ=0
OR n, ℓ, m, s OR n, ℓ, m, s
m=0 m=0
s = +½ s = -½ ( 3, 0, 0, +½ ) ( 3, 0, 0, –½ )
EXAMPLE 7

What is the difference between 2px and


2py and 2pz orbital?
EXAMPLE 7

They differ only in their orientation with respect to


each other

All the three orbital are identical in size, shape and energy.
EXAMPLE 8
Sketch any two orbitals of an electron
characterised by the principal quantum number
of 3 and the azimuthal quantum number of 2.

n = 3, ℓ = 2 3d

Choose any two orbitals


EXERCISE 1

Write an acceptable value for each of the


missing quantum numbers
a) n = 3, ℓ = ?, m = 2
b) n = ?, ℓ = 2, m = –1
c) n = 4, ℓ = 2, m = ?
d) n = ?, ℓ = 0, m = ?

a) 2
b) Any number more than 2
c) -2, -1, 0, +1, +2
d) n = 1, m = 0
EXERCISE 2

Write the set of four quantum numbers for an


electron in a 3p orbital.

3p orbital

n=3 ℓ=1
EXERCISE 2

Given ,3p orbital

n, ℓ, m, s n, ℓ, m, s
( 3, 1, -1, +½ ) OR ( 3, 1, -1, -½ )

n, ℓ, m, s n, ℓ, m, s
OR ( 3, 1, 0, -½ )
( 3, 1, 0, +½ )

n, ℓ, m, s n, ℓ, m, s
OR
( 3, 1, +1, +½ ) ( 3, 1, +1, -½ )