THE QUANTUM NUMBERS

THE QUANTUM NUMBERS

• In the mathematical solution of the Schrodinger equation,

three quantum numbers are obtained.
• These are the principal quantum number (n), the
angular quantum number, (ℓ) ,and the magnetic
quantum number (ml). They describe the atomic orbitals.
• A fourth quantum number, the spin quantum number
(ms) completes the description of the electrons in the
atoms.
 THE PRINCIPAL QUANTUM NUMBER (N)

a) Determines the energy of an orbital

b) Determines the orbital size
c) Is related to the average distance of the electron from the
nucleus in a particular orbital; the larger the n value, the
farther the average distance of the electron from the
nucleus
d) Can have the values: n = 1, 2, 3, …
e) Orbitals with the same n are said to be in the same shell.
shell.
 THE ANGULAR MOMENTUM QUANTUM
NUMBER (ℓ)

a) Describes the “shape” of the orbitals

b) Can have the following values: ℓ = 0, 1, 2, up to n-1.
Examples:
n value ℓ value
1 0
2 0, 1
3 0, 1, 2
C. Orbitals with the same n values belong to the same
subshell.
 THE ANGULAR MOMENTUM QUANTUM
NUMBER (ℓ)

D. Orbitals with the same n and values belong to the

same subshell.
 THE MAGNETIC QUANTUM NUMBER (ML)

a. Describes the orientation of the orbital in space

b. Can have the values:
- ℓ, (-ℓ + 1), … 0, … (+ ℓ -1), + ℓ
 THE ELECTRON SPIN QUANTUM NUMBER ( MS)

a. The 4th quantum number refers to two different spin

orientations of electrons in a specified orbital.
b. When lines of the hydrogen spectrum are examined at
very high resolution, they are found to be closely
spaced doublets and called as the Zeeman effect.
c. This splitting is called fine structure, and was one of
the first experimental evidences for electron spin.
d. The direct observation of the electron's intrinsic angular
momentum was achieved in the Stern–Gerlach
experiment.
 THE ELECTRON SPIN QUANTUM NUMBER ( MS)

a. Uhlenbeck, Goudsmit, and Kronig (1925) introduced the idea of the self-
rotation of the electron. The spin orientations are called "spin-up" or
"spin-down" and is assigned the number ms = ½ ms = -½,
b. The spin property of an electron would give rise to magnetic moment, which
was a requisite for the fourth quantum number.
c. The electrons are paired such that one spins upward and one downward,
neutralizing the effect of their spin on the action of the atom as a whole.
d. But in the valence shell of atoms where there is a single electron whose spin
remains unbalanced, the unbalanced spin creates spin magnetic moment, making
the electron act like a very small magnet.
e. As the atoms pass through the in-homogeneous magnetic field, the force
moment in the magnetic field influences the electron's dipole until its position
matches the direction of the stronger field.
 THE QUANTUM NUMBERS

a. The four quantum numbers compose the numbers that

describe the electron in an atom.
b. The quantum numbers shall be in the order: energy
level (n), sub-level or orbital type (ℓ), the orientation of
the orbital specified in ℓ (mℓ), and the orientation of the
spin of the electron (ms).
c. It is written in the order (n, ℓ, mℓ, ms ).
 EXAMPLE

1. An electron is found in the first

energy level. What is the allowed set
of quantum numbers for this
electron?
 ANSWER

a. The energy level, n = 1.

b. The orbital type is only s, its designation is 0, thus, ℓ = 0
c. From ℓ, the orbital type is s. There is only one orientation of
an s orbital, designated as 0, thus, mℓ = 0.
d. An electron in the 1s orbital can have an up-spin or a down-
spin. Therefore, ms could be +1/2 or -1/2. So the allowed set
of quantum numbers for 1s electron are: (1,0,0,1/2) and
(1,0,0,-1/2)

So the allowed set of quantum numbers for 1s electron are:

(1,0,0,1/2) and (1,0,0,-1/2)
 EXAMPLE

• How does (1,0,0,1/2) differ from (1,0,0,-1/2)?

Answer:
The first set corresponds to the electron with spin up
and the second set refers to the electron with spin
down.
 EXERCISES A

1. An electron is found in the 3rd energy level. What

is the allowed set of quantum numbers for this
electron?
 THE QUANTUM NUMBERS AND THE CORRESPONDING
ATOMIC ORBITALS

Quantum numbers and corresponding atomic orbitals are

given in the following table.
 EXERCISES B

1. What is the total number of orbitals associated with

the principal quantum number n=1?
2. What is the total number of orbitals associated with
the principal quantum number n=2?
3. What is the total number of orbitals associated with
the principal quantum number n=3?
4. List the values of n, ℓ , mℓ for an orbital in the 4d
subshell.
 THE REPRESENTATIONS OF THE SHAPES OF ATOMIC
ORBITALS

• What are the shapes of the atomic orbitals?

• An orbital does not have a definite shape because
the wave function extends to infinity.
• While the electron can be found anywhere, there are
regions where the probability of finding it is much
higher.
 THE REPRESENTATIONS OF THE SHAPES OF ATOMIC
ORBITALS

• Figure shows the electron density

distribution of a 1s electron
around the nucleus.
• It does not have a well-defined
boundary; the more dots, the
darker the shade, the higher the
probability of finding the electron
in that region.
• The probability distribution is
spherical.
 THE REPRESENTATIONS OF THE SHAPES OF ATOMIC
ORBITALS

• We can draw a
boundary surface
that will enclose
90% of the total
electron density in
the orbital as
shown
 THE REPRESENTATIONS OF THE SHAPES OF ATOMIC
ORBITALS

• A boundary surface diagram of the 1s orbital

• t All the s orbitals are spherical in shape but differ in size, which increases as the value of n increases.
 THE REPRESENTATIONS OF THE SHAPES OF ATOMIC
ORBITALS

• The p orbitals starts when n =2 for which ℓ has a value of 1 and mℓ has values
-1, 0, +1.
• Therefore, there are three 2p orbitals: 2px, 2py, 2pz indicating the axes along
which they are oriented.
• For the p orbitals, the electron probability density is not spherically symmetric
but has a double teardrop shape, or in some books, a dumbbell shape.
 THE REPRESENTATIONS OF THE SHAPES OF ATOMIC
ORBITALS

• The greatest probability of finding the electron is within the two lobes of
the dumbbell region; it has zero probability along the nodal planes found
in the axes.
• All three 2p orbitals are identical in shape and energy but differ in
orientation as shown in Figure.
• The p orbitals of higher principal quantum numbers have similar shapes.
 THE REPRESENTATIONS OF THE SHAPES OF ATOMIC
ORBITALS

• Figure shows the

d orbitals occur for the
first time when n = 3.
• The angular function
in these cases
possesses two
angular (or planar)
nodes.
 THE REPRESENTATIONS OF THE SHAPES OF
ATOMIC ORBITALS

• Four of the orbitals have the

same basic shapes except
for the orientation with
respect to the axes.
• The wave functions exhibit
positive and negative lobes
along the axes and shows
zero probability of finding the
electron at the origin.
• The fifth wave function, dx ,
has a similar shape with that
of the p-orbital with a donut-
shape region along the x-
axis.
 EXERCISES C

1. Give the n and ℓ values for the following orbitals

a. 4d
b. 3p
2. Which of the following is not a valid set of quantum numbers? Explain your answer.
a. n = 2, l = 2, ml = 0, and ms = -1/2
b. n = 2, l = 1, ml = -1, and ms = -1/2
c. n = 3, l = 0, ml = 0, and ms = 1
3. What is the maximum electron pairs that can occupy an:
a. s orbital _______________________________
b. the subshell of p orbitals _______________________________
c. the subshell of d orbitals _______________________________