ATOMIC STRUCTURE

• Issue to address:
– What promotes bonding?
– What types of bonds are there?
– What properties are inferred from bonding?
• 4 levels structure of material:
– Atomic structure
– Atomic arrangement
– Nanostructure (new era)
– Microstructure – grain structure
– Macrostructure – phases
 main features in the study of material are the
microstructure and macrostructure of various
materials

 However, it is also important to understand the

atomic and crystal structure

 Atomic structure
• influences how atoms are bonded together
• helps us to categorize materials as metals,
semiconductors, ceramics and polymers
• permits us to determine the mechanical and
physical properties of the four materials
 Atomic Structure
nucleus ( p + n)

neutron is neutral
Charge 1 e- = charge 1 p = q = 1.6 x 10-19 C
e- held to the nucleus by an electrostatic attraction
p & n strongly held together by nuclear force
 no of electrons = no of protons  neutral atom
 Atomic number (Z) = no of electrons or protons
 Z = 1 for hydrogen (lightest element)
 Z = 94 for plutonium
 me = 9.11 x 10-31 kg
 mp  mn = 1.67 x 10-27 kg = 1840 me
most of the mass concentrated within nucleus
 Mass number (atomic mass)
 no of protons + no of neutrons
A Z + n
 Symbol for element: ZXA
 Avogadro no NA = 6.02 x 1023 mol-1 = no of
atoms or molecules in a gram mole
 1 a.m.u = the mass of carbon 12 (C12)
 The atomic mass of C12 = 12.000 g mole-1
 Isotope – atom of the same element with
different no of neutrons (different atomic mass)
 Example - atomic mass of iron = 55.85 amu /
atom
(z)

(A)
Question - In a collection of nickel atoms, 70% of the atoms
contain 30 neutrons and 30% of the atoms contain 32
neutrons. Calculate the approximate average atomic mass for
Nickel atom. (Atomic No of Ni = 28)

Answer: 28Ni – 70% ; 28Ni – 30%

58 60

Mass of 28Ni = 60 g mole-1; mass of 28Ni

58
= 58 g mole-1
60

Atomic mass for Nickel = 7 x 58 g mole-1 + 3 x 60 g mole-1

10 10

= 58.6 g / mole
• Electronic Structure of an Atom
• Each atom consists of electrons
• Characteristics of Electrons
– have discrete energy states
– posses a particular energy with no more than two
electrons in each atom having the same energy
– occupy lowest available energy state
Quantum Numbers:

• The energy level to which each electron

belongs to is determined by four quantum
numbers
• The number of possible energy levels is
determined by the first three quantum
numbers
1. Principal quantum no, n = 1, 2, 3, 4, 5………

Shell
n = 1 K
n = 2 L
n = 3 M
n = 4 N
. . .
. . .
. . .
Example: Sodium Atom

K shell (n = 1)
maks. 2 e-1

L shell (n=2)
maks 8 e-

11 p
12 n

M shell (n = 3)
maks. 18 e-
2. No of energy levels in each quantum shell is determined
by :
Azimuthal quantum no,  and Magnetic quantum no, m
 = 0, 1, 2, ….n – 1
If n = 2 (L shell)
 = 0 and  = 1
Sub-shell
 = 0 s
 = 1 p
 = 2 d
 = 3 f
m : no of energy levels or orbitals for
each .
Total number of magnetic quantum
numbers for each  is 2  + 1
m = -, 0, +
e.g:  = 2, No of m = 2 (2) + 1 = 5
m = -2, -1, 0, +1, +2
Example 1
Calculate the no of possible orbitals in L
shell, where n = 2
Answer
n = 2   = 0, 1 (  = 0, 1, …….., n – 1 )
 = 0 , no of orbital ( m ) , 2 (0) + 1 = 1
 m = 0
 = 1 , no of orbital ( m ) , 2 (1) + 1 = 3
 m = -1, 0, +1
 There are four possible orbitals for L shell
The Pauli exclusion principle specifies that no
more than two electrons, each with opposing
spins may be present in each orbital.

Spin quantum number:

1
mS 2

1
2
Example :
Determine the maximum no of electrons in
the M shell of an atom
 Answer:
 = 0  s
M(n=3)  = 1 p
 = 2  d
Sub-shell magnetic spin
Quantum no quantum no
 = 0, s , m = 0 , ms = +1/2 , -1/2 2 electrons
 = 1, p , m = -1 , ms = +1/2 , -1/2
= 0 , ms = +1/2 , -1/2 6 electrons
= +1 , ms = +1/2 , -1/2
 = 2, d, m = -2 , ms = +1/2 , -1/2
= -1 , ms = +1/2 , -1/2
= 0 , ms = +1/2 , -1/2 10 electrons
= +1 , ms = +1/2 , -1/2
= +2 , ms = +1/2 , -1/2

 A total of 18 electrons may be present in the M shell

If we continue , we can calculate the maximum no of
electrons in the each energy shell as shown below
The pattern used to assign electrons to energy levels

=0 =1 =2 =3 =4 =5

(s) (p) (d) (f) (g) (h)
n=1 (K) 2
n=2 (L) 2 6
n=3 (M) 2 6 10
n=4 (N) 2 6 10 14
n=5 (O) 2 6 10 14 18
n=6 (P) 2 6 10 14 18 22
Shorthand notation for the electronic structure of
germanium:
32
Ge -1s2 2s2 2p6 3s2 3p6 3d10 4s2 4p6
72.59

no of electrons in the orbital

principal quantum 1 s2
number azimuthal quantum no

Complete set of quantum no for each of the 11

electrons in sodium
11
Na - 1 s2 2 s2 2 p6 3 s1
22.989
3s1
electron 11 n=3,  = 0, m=0, ms = + ½ or - ½

electron 10 n=2,  = 1, m=+1, ms = - ½

electron 9 n=2,  = 1, m=+1, ms = + ½
2p6
electron 8 n=2,  = 1, m=0, ms = - ½
electron 7 n=2,  = 1, m=0, ms = + ½

electron 6 n=2,  = 1, m=-1, ms = - ½

electron 5 n=2,  = 1, m=-1, ms = + ½
2s 2 electron 4 n=2,  = 0, m=0, ms = - ½
electron 3 n=2,  = 0, m=0, ms = + ½

1s 2 electron 2 n=1,  = 0, m=0, ms = - ½

electron 1 n=1,  = 0, m=0, ms = + ½
Deviations from Expected Electronic Structures
• The orderly building up of the electronic structure not
always followed, particularly when atomic no is large and
d and f levels begin to fill.
26
• Example : Iron Fe
55.85
electronic structure would expect to be
1s2 2s2 2p6 3s2 3p6 3d8
actual structure:
1S2 2S2 2p6 3s2 3p6 3d6 4s2

• The unfilled 3d level causes the magnetic behavior of iron

Prinsip Pauli
Valence
• related to the ability of atom to enter into
chemical combination with other elements.
• Determined by number of electrons in the
outermost combined sp orbital
• Number of bonds formed between atoms
(same element or other elements)

Mg:1s2 2s2 2p6 3s2 valence = 2

Al: 1s2 2s2 2p6 3s2 3p1 valence = 3
Ge: 1s2 2s2 2p6 3s2 3p6 3d10 4s2 4p2 valence = 4
• Valence also depends on the nature of
chemical reaction
P : 1S2 2s2 2p6 3s2 3p3

Valence = 5 when combines with oxygen

 P2 O5
Valence = 3 when combines with hydrogen
 PH3
Mn : 1s2 2s2 2p6 3s2 3p6 3d5 4s2
Valence - 2, 3, 4, 6 or 7
 Stable electrons configurations
• have complete s and p subshells
• tend to be unreactive
Atomic Stability
If an atom has complete s and p subshells
(a valence of 0) no electrons enter into chemical
reactions
 element is inert

Eg - Argon : 1s2 2s2 2p6 3s2 3p6

8 electrons filled - stable.

• Other atoms prefer to behave as if their outer sp

levels are either completely full with eight
electrons or completely empty
Al : 1s2 2s2 2p6 3s2 3p1

- readily gives up its outer 3 electrons to

empty the 3 sp level

Cl : 1s2 2s2 2p6 3s2 3p5

- readily to fill its outer energy level by

accepting an electron
Electronegativity
• Tendency of an atom to gain an electron
• Atoms with almost completely filled outer energy
levels (e.g. Cl) are strongly electronegative and
readily accept electrons

Cl : 1s2 2s2 2p6 3s2 3p5

• Atoms with nearly empty outer levels and readily

give up electrons are strongly electropositive
readily to give up 1 electron
Na : 1S2 22 2p6 3s1
• High atomic number elements also have a low
electronegativity; because outer electrons are far away
from nucleus (+).

Example 3
Compare the electronegativities of calcium and bromine
Ca : 1s2 2s2 2p6 3s2 3p6 4s2
Br : 1s2 2s2 2p6 3s2 3p6 3d10 4s2 4p5
• Ca - strongly electropositive
• Br - strongly electronegative
 PERIODIC TABLE

 Construction based on electronic

configuration of element

 Gives some clues to the behavior of

the elements
K shell (n=1)

L shell (n=2)

M shell (n=3) VIIIB 1B IIB

N shell (n=4)

O shell (n=5)

P shell (n=6)

Increase electronegativity

Same electronegativity
Alkali Metals Alkali Earth Metals
Transition Metals Rare Earth Metals
Other Metals Nonmetals
Halogens Noble Gases
IA  VIIA (1 - 18) Elements
 Rows - correspond to quantum shells (principal
quantum no)
 Li Ne contain electrons in the L shell (n = 2)
 Na  Ar contain electrons in M shell (n = 3)
 Columns refer to no of electrons present in the
outermost sp energy level and correspond to the
most common valence
 Column IA - Li , Na , P ……Valence = 1
 Column VIIA - F , Cl , Br , ….. Valence = 7
 Column O - outer sp level full  inert gases
 Normally elements in each column have similar
properties and behavior
Elements of IIIB  VIIIB
 In each of these rows, an inner energy level is
progressively filled
 Elements in the 4th row: Sc, Ti, V, Cr, Mn, Fe, Co, Ni
are transition elements – contain valence electrons in
the N shell (n=4)
 However, the inner 3d level in M shell is not full
 Row 4 : 3d level is not full
 Row 5 : 4d level is not full
 Row 6 : 5d level is not full
 Row 7 : 5f level is not full
 All these elements have similar behavior
Electronic configuration of the transition elements
Group Element Electronic Configuration
3(IIIB) Sc . . . 3s2 3p6 3d1 4s2
4(IVB) Ti . . . 3s2 3p6 3d2 4s2
5(VB) V . . . 3s2 3p6 3d3 4s2
6(VIB) Cr . . . 3s2 3p6 3d5 4s1
7(VIIB) Mn . . . 3s2 3p6 3d5 4s2
8(VIIIB) Fe . . . 3s2 3p6 3d6 4s2
8(VIIIB) Co . . . 3s2 3p6 3d7 4s2
8(VIIIB) Ni . . . 3s2 3p6 3d8 4s2
Elements of Column IB and IIB
 Col IB - Cu, Ag, Au valence 1
 Col IIB - Zn, Cd, Hg valence 2
 All have complete inner shells (d10)
 Compare copper with potassium (K) (1/IA)
K :1s2 2s2 2p6 3s2 3p6 4s1
Cu :1s2 2s2 2p6 3s2 3p6 3d10 4s1
 The filled 3d 10 level in copper helps keep the valence
electrons tightly to the inner core.
 Therefore Cu, Ag & Au very stable & unreactive
 In potassium valence electron is not tightly held by 3s
3p shell  very reactive