02 Basic Structures 2022

Machine Translated by Google
Organic Chemistry
Dr. Jolanta E. Marszalek
Aug-Dec 2022
Chemical Bonds
• Atomic model
• Different kinds of bonds
• What is electronegativity
• Lewis dot structures, VSEPR, bond
hybridization
• How the type of chemical bonding affects
the bulk properties of a material
Atomic model
• Periodic table
• Reading Periodic table
The Evolving Atomic Model
Dalton Model Thomson Model Rutherford Bohr Model

model
1803 – John Dalton 1897 – J.J. 1913 – Niels Bohr
believed that an Thomson discovers 1911 – Ernest enhances
atom was an the electron. He Rutherford Rutherford's model
indestructible believed electrons discovers that by having electrons
particle with no were embedded in there is a dense, move in a circular
internal frame. positive charge positively charged orbit at fixed
sphere. nucleus. Electrons distances from the
(Billiard Ball nucleus.
go around the
Model) (Plum pudding nucleus.
Model)
Electrons in an Atom
• According to the Bohr Model, electrons (e-) can only
orbit the nucleus in specific, allowed pathways
• They move toward and
away from the nucleus by
“steps” or discrete
amounts of energy
(a quantum)
that are released or absorbed
•
e- further from the nucleus have more energy
• Those closer to the nucleus have less energy
Very similar to a ladder. Just as you cannot

step on the air between the rungs, an electron
cannot exist between the levels
• Ground state: the lowest energy of an atom

• Excited state: higher potential energy state
Higher excited state
Excited state
ground state
Excited state
Energy
Energy
ground state
ABSORPTION EMISSION
• Energy absorbed ÿ e - moves to higher state

• Energy emitted ÿ e - moves to lower state
Quantum Mechanical Model

In 1926, Erwin Schrödinger developed an
equation that described the behavior of an e-
Eÿ(x) = [-(h2 /8ÿ 2m)d2 /dx2 + V(x)] ÿ(x)
• I have believed:
– Electrons are found in discrete energy levels (as
Bohr believed)
– BUT, the electron does not move around the
nucleus in a fixed orbit
This all led to the modern quantum theory…
The Quantum Mechanical

Model of the Atom
Electron Configuration 9
Modern Atomic Theory

1. Orbitals describe the three dimensional space that
electrons occupy
Orbital
Not yet
Orbit
2. The location of an electron can only be described by

probability of finding it
3. Orbitals give shape to the atom
• These properties allow us to describe electrons in terms of

their energy and position
• Quantum Mechanics!
Quantum Mechanics
It is the “address” of an electron
• En donde Vives? (4 things)
- State
-City
- Street Name
-House Number
• Electrons are identified the same way (4 things)…
- Principle (identified by 1,2,3,4)
- Orbital (identified by s, p, d or f)
- Magnetic
-Spin
Four Quantum Numbers

1. Principle Quantum Number
• Indicates the main energy level
123
occupied by the e- (distance from the
nucleus)
• Shell Number (1st shell is closest to
nucleus, 2nd is further, and so on …)
• Values of n can only be positive
integers (1, 2, 3, etc.)
2. Orbital Quantum Number
• Indicates the shape of the orbital
(actual 3D space where
the probability of finding e- is greatest)
• Sublevel of n
• Designated s, p, d, f yes
p d
The Shapes of the s, p, and d Orbitals

F-Orbitals!
f-orbitals
14
• s sublevel
– Spherical shaped
– One orbital
– Holds two e-
•
p sublevel
– Peanut or dumbbell shaped
– Three orbitals
– Holds six e-
• d sublevel
– Double peanut shaped
– Five orbitals
– Holds ten e-
• f sublevel
– Flower shaped
– Seven orbitals
– Holds fourteen e-
What is Electron Configuration?
The arrangement of
electrons in an atom
Orbitals
• Orbitals
– Each sublevel (s, p, d, f) contains orbitals.
– Remember, orbitals are electron-clouds that hold the
electrons 90% of the time.
– Each orbital can hold TWO electrons, so

• s - 2 electrons, p 1 orbital
• 3 orbitals
– 6 electrons, • d
– 10 electrons, • f – 5 orbitals
14 electrons, 7 orbitals
How do you write this “address” for the

electron?
There are a few rules that help us represent
the arrangement of electrons in atoms address
• Aufbau (“building up”) principle: an electron occupies the lowest
energy possible
• Hund's rule: orbitals of equal energy are each occupied by one

electron before accepting a second electron
and -
• Pauli exclusion principle: no two electrons in the same atom will

have the same set of quantum numbers
The Aufbau Principle

• Each electron occupies
the lowest orbital energy
– Electrons are Lazy!!!
• All orbitals related to an
energy level are of equal
energy.
– Ex. The three 2p orbitals All
are the same energy level. equivalent
energy
19
Pauli Exclusion Principle

• A maximum of two electrons
may occupy a single orbital,
but only if the electrons have
opposite spins.
– Spin -- Electrons have an
associated “spin,” either one
way or the other, like a top.
– These spins are called “spin
up” and “spin down.”
– See example on board.
Box = orbital
Arrow = electron twenty

Hund's Rule
• Single electrons with the Nitrogen:
same spin must occupy each
1s2 2s2 2p3
equal-energy orbital before
additional electrons with
opposite spins can occupy 1s2 2s2 2p3
the same orbitals.
NOT
– Electrons are
UNFRIENDLY
– Why? 1s2 2s2 2p3
twenty-one
The order of things…

• Np1 • Electrons, being
unfriendly, fill up the
• Np2
empty orbitals before
• Np3 sharing orbitals.
– Similar to seats on a bus –
• Np4 on a bus, you sit alone,
rather than with a stranger,
• Np5 if there is an option.
• Np6
22
Electron Configurations – Quick address

1. Period # 1 – 7 (exception for d orbitals – 1 less)
sdf p
2. Subshell letter (eg s, p, d, f…)
3. Atomic # is # of e- as an exponent Example
Sulfur = 1s22s22p63s23p4
Energy Level Diagram

6s 6p 5d 4f hydrogen
5s 5p 4d
Bohr Model
4s 4p 3d
3s 3p
N
crS
iabn
yryagerrtle A
E
2s 2P
1s
Electron Configuration
NUCLEUS
H = 1s1

6s 6p 5d 4f
Helium
Bohr Model
5s 5p 4d
4s 4p 3d
3s 3p
N
crS
iabn
yryagerrtle A
E
2s 2P
1s
NUCLEUS
He = 1s2

6s 6p 5d 4f
Lithium
5s 5p 4d
Bohr Model
4s 4p 3d
3s 3p
N
crS
iabn
yryagerrtle A
E
2s 2P
1s
NUCLEUS
Li = 1s22s1

6s 6p 5d 4f
Coal
Bohr Model
5s 5p 4d
4s 4p 3d
3s 3p
N
crS
iabn
yryagerrtle A
E
2s 2P
1s
NUCLEUS
C = 1s22s22p2

6s 6p 5d 4f Nitrogen
Bohr Model
5s 5p 4d
4s 4p 3d
3s 3p
N
crS
iabn
yryagerrtle A
E
Hund's Rule “maximum

number of unpaired
orbitals”.
2s 2P
1s
NUCLEUS
N = 1s22s22p3
The Diagonal rule

1s
2s 2p
3s 3p 3d
4s 4p 4d 4f 5s
5p 5d 5f 5g
Do not exist
6s 6p 6d 6f 6g 6h
in normal
ground state atoms
7s 7p 7d 7f 7g 7h 7i
Write the electron configuration

Ge
More Practice
Homework #1
1. Write the
a. Energy level diagram
b. Bohr Model
c. Electron configuration in numbers
For Gallium (6pnt)
2. Write only electron configuration for (12pnts) a)
Neon
b) Bromine
c) Lead
d) Calcium
e) Potassium
f) Iodine 33
SUMMARY
Atom models
Quantum location of electrons
Orbitals determined by wave equation: s, p, d,…
Electron configuration
Chemical bonds are the glue that hold molecules

together
DIFFERENT TYPES OF BONDS

Definitions
• Chemical Bond – mutual electrical attraction
between the nuclei and valence electrons
of different atoms that bind the atoms together
• Valence electrons – outermost electrons that
are available to be lost, gained, or shared to
form a chemical bond
Definitions
• Chemical Bond – mutual electrical attraction
between the nuclei and valence electrons
of different atoms that bind the atoms together
• Valence electrons – outermost electrons that
are available to be lost, gained, or shared to
form a chemical bond
Chemical Bond
A force that holds groups of 2 or more atoms

together and makes them function as a unit
– Atom – smallest unit of an element
– Molecule – Group of bonded atoms
Atoms
Molecule
Types of Chemical Bonds

• Ionic Bonding – a type of bond in which a
metal and a nonmetal transfers electrons
• Covalent Bonding – type of bond in which

2 or more nonmetal atoms share electrons
IONIC – Metal + nonmetal

COVALENT – 2 nonmetals
Periodic Table
Types of Covalent Bonds

• Nonpolar covalent bond – electrons are shared
equally.
Types of Covalent Bonds
• Polar covalent – electrons are not shared

equally because one atom attracts the shared
electrons more than the other atom
Electronegativity
• Electronegativity - measure of an atom's
ability to attract electrons.
• Electronegativities tend to increase across
a period and decrease down a group
Classifying Chemical Bonds
• The polarity of a bond depends on the

difference between the electronegativity
values of the atoms forming the bonds.
• Nonpolar covalent – 0 to 0.3
• Polar covalent – >0.3 to 1.7
• Ionic – greater than 1.8
Electronegativity Values
• Increases from left to right across a period
• Decreases down a group of representative
elements
practice
Use electronegativity values to classify the

following bonds:
to. Sulfur and Hydrogen 2.58 - 2.20 = 0.38 polar covalen

b. Lithium and Fluorine
3.98 - 0.98 = 3.00 ionic
c. Potassium and Chlorine
3.16 - 0.82 = 2.34 ionic
d. Iodine and Bromine 2.96 - 2.66 = 0.3 nonpolar
covalen e. Carbon and Hydrogen
2.55 - 2.20 = 0.35
polar covalent
Covalent Bonding and Molecular Compounds
COVALENT BONDING
Formation of a Bond
• Nature favors chemical bonding because most
atoms have lower potential energy when they
are bonded to other atoms
• Each atom has a positive nucleus in the center and
negative electrons surrounding the nucleus
• The positively charged nuclei are attracted to the
negatively charged electrons
Formation of a Covalent Bond

• As the atoms approach each other, the
Charged particles interact: nucleus on one
atom attracts electrons on the other atom
• As the atoms approach one another, the

potential energy decreases
• A bond forms when the potential energy is at
a minimum

• If the atoms continue to approach one
another once the bond forms, the nuclei will
begin to repel one another and the potential
energy will start to increase.
Characteristics of the Covalent Bond

• Bond length – distance between two bonded
atoms at their minimum potential energy or the
average distance between two bonded atoms
• Bond energy – energy required to break a
chemical bond and form neutral isolated atoms
- kilojoules per mole (kJ/mol)
• Bond lengths and bond energies vary with the
types of atoms that have combined
Lewis Structure
• Gilbert N. Lewis suggested a way to keep

track of valence electron
• Representation of atoms and covalent
bonding between them
Element's
lewis
symbol
Symbol/
Diagram
Ar Dot = electron
valence
steps
1. Place the element symbol in the center
2. Read the number of valence electrons
3. Place electrons around the symbol
Lewis Structure of elements

• Draw Lewis Structure of the following:
Mg AC
Q To the
Yes Yes
CL EITHER EITHER
Xe h
Lewis Structure of molecules

• The octet rule states that atoms tend to lose, gain
or share electrons until they are surrounded by
8 electrons in their valence shell
The Octet Rule

• The atoms “want” to have eight electrons like
noble gases
Ne F

• To get eight electrons two non-metals can
share electrons
F F
# =7 # =7

share electrons
Covalent
bond
FF
# =8 # =8

share electrons
Covalent
bond
FF
# =8 # =8
Lewis Structure
• A Lewis Structure is a :
representation of covalent bonding : : :: : CL :
:
using Lewis dot symbols in which :CL c F :
: : :
shared electron pairs are shown as :::F :
a pair of electrons or a line
between two atoms : : : CL :
• The lone pairs of electrons are

: :
:CL c F:
shown as pairs of dots on : :: F
individual atoms
How to draw LS?

1. Count the total number of valence electrons
2. Identify the central atom: the central atom has
the lowest electronegativity. Place the rest of
the atoms on the outside. Hydrogen ALWAYS
stays on the outside
3. Draw the electrons forming bonds
4. Fill out the octet for the atoms
5. Check your structure to account for all the
valence electrons

The steps in converting a molecular formula into a Lewis structure
Count the
Molecular
Step 1 valence
formula
electrons
Sum of VE Place atom with

Step 2 lowest EN in
center
atom Draw single bonds. Subtract
Placement Step 3 2e-for each bond.
Give each
Draw bonds
Step 4 atom 8e-
(2e-for H)
Complete Step 5
Octet Check the
structure
lewis
Structure
Molecular
formula For NF3
Sum of
valence e- 8e- ::: N 5e-
Atom F: : :F :
placement N F 7e- X 3 = 21e-
8e-
Draw bonds : Total 26e-
F
::
8e-
Remaining
valence e-
lewis
structure
Practice/Homework
H2S _ NF3 CHCl3 CaSO4
N2 O2 C2H6 CO2
H2O2 NH3 SO3 SiF4
HONO2 NO2
+ HCN HCOOH
OO
Electronegativity Values
• Increases from left to right across a period
• Decreases down a group of representative
elements
H2S _
#e-=6+2=8 MSM
CHCl3
#e-=6+1+7(3)=28
CL
HCCl
CL
• Youtube “How to Draw Lewis Structures: Five

Easy Steps” by Wayne Breslyn
https://youtu.be/1ZlnzyHahvo
• Lewis Diagrams Made Easy: How to Draw
Lewis Dot Structures
https://youtu.be/cIuXl7o6mAw
Chemical Bonds
• Atomic model
• Different kinds of bonds
• What is electronegativity
• Lewis dot structures, VSEPR, bond
hybridization
Let's Recall
• Electron configuration of 1s2

–C 2s2 2p4
–N 1s2 2s2 2p3
• Lewis Structure of
– CH4
– NH3
VALENCE BOND THEORY

&
HYBRIDIZATION
Localized Electron Model

• The arrangement of valence electrons is represented by the
Lewis structures
• Atomic orbitals are used to share electrons and form bonds
• Molecular geometry can be predicted from the VSEPR model
and/or hybridization
Valence Bond Theory

• The valence bond theory was proposed by Heitler and London to
explain the formation of covalent bond quantitatively using
quantum mechanics
• Pauling improved this theory by introducing the concept of
hybridization
• Valence bond (VB) theory assumes that all bonds are localized
bonds formed between two atoms by the donation of an
electron from each atom
• You describe covalent bond formation as well as the electronic
structure of molecules
• The theory assumes that electrons occupy atomic orbitals of
individual atoms within a molecule, and that the electrons of one
atom are attracted to the nucleus of another atom
Valence Bond Theory

• A covalent bond is formed by the overlapping of two half
filled valence atomic orbital's of two different atoms
• The electrons in the overlapping orbital's get paired and
confined between the nuclei of two atoms
• The electron density between two bonded atoms increases
due to overlapping ÿ stability to the molecule • The
greater the extent of overlapping ÿ stronger is the bond formed
• The direction of the covalent bond is along the region of

overlapping of the atomic orbital's ie, covalent bond is
directional
Valence Bond Theory

There are two types of covalent bonds based on the pattern of
overlapping as follows:
ÿ-bond
A sigma bond (symbol: ÿ) is a covalent bond
formed via linear overlap of two orbital's
ÿ-bond
A pi bond (symbol: ÿ) is a covalent bond
ÿ bond
formed via parallel overlap of two orbital's
ÿ-bond
• The covalent bond formed due to overlapping of atomic orbital
along the inter nucleus axis is called ÿ-bond. It is a stronger
bond and cylindrically symmetrical.
• Depending on the types of orbital's overlapping, the ÿ-bond is
divided into following types:
ÿs-s bond,
ÿp-p bond,
ÿs-p bond:
ÿ-bond
•ÿs-s bond:
ÿ-bond
•ÿp
-p
bond:
ÿ-bond
•ÿs
-p
bond:
ÿ-bond
• The covalent bond formed by sidewise
overlapping of atomic orbital's is called
ÿ- bond
• The electron density is present above
and below the inter nuclear axis
• It is relatively a weaker bond since the
electrons are not strongly attracted by
the nuclei of bonding atoms
The 's' orbital's can only form ÿ-bonds, whereas the p, d

& f orbital's can form both ÿ and ÿ-bonds.
H2 molecule
• The electronic configuration of hydrogen atom in the
ground state is 1s1
• In the formation of hydrogen molecule, two half filled
1s orbital's of hydrogen atoms overlap along the
inter-nuclear axis and thus by forming a ÿs-s bond.
Cl2 molecule
• The electronic configuration of Cl atom in the ground
state is [Ne]3s2 3px 2 3py2 3pz1
• The two half filled 3pz atomic orbital's of two chlorine atoms
overlap along the inter-nuclear axis and thus by forming a ÿp-
p bond
HCl molecule
• In the ground state, the electronic configuration of hydrogen
atom is 1s1
• And the ground state electronic configuration of Cl atom is
2 2 1
[Ne]3s2 3px 3py 3pcs
• The half filled 1s orbital of hydrogen overlap with the

half filled 3pz atomic orbital of chlorine atom along the inter-
nuclear axis to form a ÿs-p bond
O2 molecule
• The electronic configuration of O in the ground state is [He]
2 1 1
2s2 2px 2py 2pz .
• The half filled 2py orbital's of two oxygen atoms overlap
along the inter-nuclear axis and form ÿp-p bond.
• The remaining half filled 2pz orbital's overlap laterally to
form a ÿp-p bond
• Thus a double bond (one ÿp-p and one ÿp-p ) is formed between two
oxygen atoms
VSEPR
• Valencia
• Shell
• Electron Electron groups maximize
• Pair their distance from one
another to minimize their
• Repulsion repulsions
Carbon Atom
HYBR s electrons have

lower energy
than p electrons
If C bonded with
2s and 2p
electrons the 4
The energy of
four bonds is the
bonds would same
have different
energy
Hybridization
• The intermixing of two or more pure atomic orbital's of an
atom with almost the same energy to give same number of
identical and degenerate new type of orbital's is known as
hybridization
• The new orbital's formed are also known as hybrid
orbital's
• During hybridization, the atomic orbital's with different
characteristics are mixed with each other sp3d sp sp
2 sp3d
sp2
sp3d 3
3sp _
sp3 Hybridization
• In sp3 hybridization, one 's' and three 'p' orbital's of almost equal
energy intermix to give four identical and degenerate hybrid orbital's
• These four sp3 hybrid orbital's are oriented in tetrahedral symmetry
ÿ
with 109 28' angle with each other
• The sp3 hybrid orbital's have 25% 's' character and 75% 'p' character
Electron Configuration of C
only two unpaired

2P
electrons
should form s
bonds to only two
hydrogen atoms
bonds should be
2s at right angles to
one another
sp3 Hybridization
2P 2P
Promote an electron from the 2s

to the 2p orbital
2s 2s
sp3 Hybridization
2P
Mix together (hybridize) the 2s

orbital and the three 2p orbitals
2s
sp3 Hybridization
2P
2 sp3
4 equivalent half-filled
orbitals are consistent
2s
with four bonds and
tetrahedral geometry
Shapes of Orbitals
yes
Shape of Nodal
orbitals
properties
sp hybrid
of orbitals
p + –
yes
+
take the s orbital and place it

on top of the p orbital
Shape of sp hybrid orbitals
s+p ++–
reinforcement of electron wave in regions

where sign is the same
destructive interference in regions of
opposite sign
Shape of sp orbital
sp3 hybrid + –
orbital shown is sp hybrid

analogous procedure using three
s orbitals and one p orbital gives
sp3 hybrid
shape of sp3 hybrid is similar
Shape of sp orbital
sp hybrid
hybrid orbital is not symmetrical

higher probability of finding an electron on one
side of the nucleus than the other
leads to stronger bonds
Shape of sp3 orbitals

Shape of sp3 orbitals

The C—H s Bond in Methane

In-phase overlap of a half-filled 1s orbital of hydrogen
with a half-filled sp3 hybrid orbital of carbon:
+
yes
h + c –
sp3
give a yes bond
H—C s h C–
Methane 3D shape
Methane 3D shape
Justification for Orbital Hybridization
Consistent with structure of methane
Allows for formation of 4 bonds rather than 2
Bonds involving sp3 hybrid orbitals are stronger

than those involving ss overlap or pp overlap
ÿ-bond
•ÿ bond :
s -sp 3
Structure of Ethane
C2H6
CH3CH3
tetrahedral geometry at each carbon

C—H bond distance = 110 pm
C—C bond distance = 153 pm
The C—C's Bond in Ethane
In-phase overlap of half-filled sp3 hybrid orbital of one

carbon with half-filled sp3 hybrid orbital of another
Overlap is along internuclear axis to give as bond
The C—C's Bond in Ethane
In-phase overlap of half-filled sp3 hybrid orbital of one

carbon with half-filled sp3 hybrid orbital of another
Overlap is along internuclear axis to give as bond
ÿ-bond
• The covalent bond formed by sidewise
overlapping of atomic orbital's is called
ÿ- bond
• The electron density is present above
and below the inter nuclear axis
• It is relatively a weaker bond since the
electrons are not strongly attracted by
the nuclei of bonding atoms
sp2 Hybridization
• Intermixing of one 's' and two 'p' orbital's of almost equal energy to give three
identical and degenerate hybrid orbital's is known as sp2 hybridization.
• The three sp2 hybrid orbital's are oriented in trigonal planar symmetry at angles
ÿ
of 120 • The sp2 to each other.
hybrid orbital's have 33.3% 's' character and 66.6% 'p'
character.
sp2 Hybridization
• Intermixing of one 's' and two 'p' orbital's of almost equal energy to give three
identical and degenerate hybrid orbital's is known as sp2 hybridization.
• The three sp2 hybrid orbital's are oriented in trigonal planar symmetry at angles
ÿ
of 120 • The sp2 to each other.
hybrid orbital's have 33.3% 's' character and 66.6% 'p'
character.
Structure of Ethylene
C2H4
H2C=CH2
planar
bond angles: close to 120°
bond distances: C—H = 110 pm
C=C = 134 pm
sp2 Hybridization
2P 2P

to the 2p orbital
2s 2s
sp2 Hybridization
2P

orbital and the two 2p orbitals
2s
sp2 Hybridization
2P 2P
2 sp2
sp2 hybrid orbitals plus 2s
1 p orbital
left unhybridized
sp2 Hybridization
2 of the 3 sp2 orbitals

2P
are involved in s bonds
to hydrogens; the other
is involved in as bond
to carbon
2 sp2
p bonding in ethylene
2P the unhybridized p orbital of

carbon is involved in p bonding
to the other carbon
2 sp2
p bonding in ethylene
2P
2 sp2
side-by-side overlap of half-filled

p orbitals gives ap bond
each carbon
double bond in has an unhybridized
ethylene has an 2p orbital
saxis of orbital isand
component perpendicular to the plane of the s bonds
ap component
Each sp2 carbon

Side view of bonds in ethylene

sp Hybridization
• Intermixing of one 's' and one 'p' orbital's of almost equal energy to
give two identical and degenerate hybrid orbital's is called 'sp'
hybridization.
• These sp-hybrid orbital's are arranged linearly at 180ÿ
angle • They possess 50% 's' and 50% 'p' character
sp Hybridization
• Intermixing of one 's' and one 'p' orbital's of almost equal energy to
give two identical and degenerate hybrid orbital's is called 'sp'
hybridization.
• These sp-hybrid orbital's are arranged linearly at 180ÿ
angle • They possess 50% 's' and 50% 'p' character
Structure of Acetylene
C2H2
HC CH
linear
bond angles: 180°

bond distances: C—H = 106 pm
DC = 120pm
sp Hybridization
2P 2P

to the 2p orbital
2s 2s
sp Hybridization
2P

orbital and the one2p orbitals
2s
sp Hybridization
2P 2P
2sp _
sp hybrid orbitals plus 2s
2 p orbital left
unhybridized
sp Hybridization
s bond
2P
2sp _
1 of the 2 sp orbitals is
involved in as bond to hydrogen;
the other is involved in as bond

to carbon
sp Hybridization
p bonds
2P the unhybridized p orbitals of

carbon are involved in separate
p bonds to the other carbon
2sp _
one p bond involves one of the p orbitals on each carbon

there is a second p bond perpendicular to this one
sp Hybridization
p bonds
2P
2sp _
sp Hybridization
p bonds
2P
2sp _
sp Hybridization: CO2
sp Hybridization: N2
N.N.
sp3d hybridization
•
In sp3d hybridization, one 's', three 'p' and one 'd' orbital's of almost equal energy
intermix to give five identical and degenerate hybrid orbital's, which are arranged
in trigonal bipyramidal symmetry • Among them, three are arranged in
trigonal plane and the remaining two orbital's are present above and below the
trigonal plane at right angles
• The sp3d hybrid orbital's have 20% 's', 60% 'p' and 20% 'd' characters
PCl5
sp3d 2 hybridization
• Intermixing of one 's', three 'p' and two 'd' orbital's of almost same
energy by giving six identical and degenerate hybrid orbital's is called
• These six sp3d 2 orbital's are arranged in octahedral symmetry by
making 90 ÿangles to each other. This arrangement can be visualized
as four orbital's arranged in a square plane and the remaining two
are oriented above and below this plane perpendicularly
SF6
sp 3d 2 hybridization
• In sp3d 3 hybridization, one 's', three 'p' and three 'd' orbital's of
almost the same energy intermix to give seven sp3d3 hybrid
orbital's, which are oriented in pentagonal bipyramidal
symmetry • Five among the sp3d 3 orbital's are arranged in a
pentagonal plane by making 72ÿ of angles. The remaining are
arranged perpendicularly above and below this pentagonal plane
IF7
ÿ Pair Hybridization shape
2 linear
sp
3 sp2 planar trigonal
4 sp3 tetrahedral, pyramidal, or bent
trigonal bipyramidal, trigonal

5 sp3d
planar, or linear
octahedral, square planar, or

6 sp3d 2
linear
THE MOLECULAR ORBITAL

MODEL
Molecular Orbital Model

• The localized electron model works very well with the
prediction of structure and bonding of molecules, but the
electron correlation problem still exists
• Since we do not know the details of the electron movements,
we cannot deal with the electron-electron interactions in a
specific way
• The Molecular Orbital model helps us to deal with the
molecular problem
Molecular Orbitals
Molecular orbitals (MOs) have many of the same

characteristics as atomic orbitals. Two of the most
important are:
• MOs can hold two electrons with opposite spins
• Wave function indicates electron probability
MOs
For simplicity we will first look at the H2 molecule

• The combination of hydrogen 1s atomic orbitals results in 2
molecular orbitals
• The wave phases of the atomic orbitals combine/overlap.
Since electrons move in wave functions, this causes
constructive and destructive interference in the wave pattern
• When the orbitals are added, the matching phases produce
constructive interference and the opposite phases produce
destructive interference
MOs
• A constructive combination gives a bonding MO. This gives an
enhanced electron probability between the nuclei.
• The destructive combination gives an antibonding MO. This
interference produces a node between the nuclei.
MOs
Two MOs exist for H2 :
• MO1= 1sH1 + 1sH2
– MO1 is constructive and therefore a bonding MO
– MO1 is lower energy
• MO2 = 1sH1 – 1sH2

– MO2 is destructive and therefore an antibonding MO
– MO2 is higher energy
MOs
The type of electron distribution described in these MOs is called
sigma as in the localized electron model. MO1 and MO2 are
sigma (ÿ) molecular orbitals.
• In this molecule only the molecular orbitals are available for
occupation by electrons. The 1s atomic orbitals of the
hydrogen atoms no longer exist, because the H2 molecule –
a new entity – has its own set of new orbitals.
MOs
The energy level of the bonding MO
is lower and more stable than that s1s *
of the antibonding MO. Since
molecule formation favors the
lowest energy state, this provides
the driving force for molecule s1s
formation of H 2 . This is called
probonding.
If two electrons were forced to
occupy the higher-energy MO Este
2
would be anti-bonding and the
lower energy of the separated
atoms would be favored.
Quiz #1
• What is electron configuration? (2pts)
What is the electronic configuration?
• Write electron configuration for 14Si (2pnts)
write electronic configuration for 14Si
• In your words explain the reason for carbon
orbital hybridization. Describes
sp2 hybridization. (4pts)
In your own words, explain the reason for
carbon hybridization. Describe sp2 hybridization
Bonding and Antibonding

MOs
Labels are given to MOs indicate their symmetry (shape), the

parent atomic orbitals, and whether they are bonding or
antibonding
• Antibonding character is indicated by an asterisk
• Subscripts indicate parent orbitals
• ÿ and ÿ indicate shape
• H2 has the following MOs:
– MO1 = ÿ1s
– MO2 = ÿ1s*
MOs
Molecular electron configurations can be written in much the
same way as atomic (electron) configurations. Since the H2
molecule has two electrons in the ÿ1s molecular orbital, the
2
electron configuration is: ÿ1s
• Each molecular orbital can hold two electrons, but the spins
must be opposite
• Orbitals are conserved ÿ The number of molecular orbitals
will always be the same as the number of atomic orbitals used
to construct them
Bond Order
To indicate bond strength, we use the concept of bond order
- -
# of bonding e - # of antibonding e
Bond Order =
2
Example:
H2 has a bond order of 1
H2 - has a bond order of ½
MOs
From this molecular electron configuration, we can determine a

molecules stability
• Would H2 - be stable? –
(ÿ1s )2 ( ÿ1s*) 1
– The key idea is that H2 - would exist if it were a lower energy than its
separated parts. Two electrons are in bonding and one is in
antibonding. Since more electrons favor bonding H2 - is formed.
– This is also a good indicator of bond strength. H2 has a stronger bond
than H2 - . The net lowering of the bonding electrons by one is a direct
relationship to bond strength. H2 is twice as strong.
Bond Order
Bond order is an indication of bond strength because it reflects
the difference between the number of bonding electrons and
the number of antibonding electrons
• Larger bond order means greater bond strength
• Bond order of 0 gives us a molecule that doesn't exist
MOs from p orbitals
• Since the electron probability

lies above and below the line
between the nuclei (with
parallel p orbitals), the
stability of a ÿ molecular
bonding orbital is less than
that of a ÿ bonding orbital
• The antibonding ÿ MO is not
as unstable as
the antibonding ÿ MO
• The energies associated with
the orbitals reflect this
stability
B2 Example
• Electron configuration?
• 1s2 2s2
2p1 • 1s2 does not bond
• 2s2 and 2p1 bond 2
2
(ÿ2s) (ÿ2s*)2 (ÿ2p) •
• Bond order?
Exceptions
• B2 , and N2 molecules use

C2 , the same set of
molecular orbitals that we
expect but some mixing of orbital energies
occurs
• The s and p atomic orbitals mix
or hybridize in a way that
changes some MO energy
states
• This affects filling order and
pairing of electrons
Example Problem
For O2 , , and O2 - , give the MO electron configuration

O2 + and the bond order for each. Which has the
strongest bond?
2
O2 : (ÿ2s) 2 (ÿ2s*)2 (ÿ2p) (ÿ2p) 4 (ÿ2p*)2 BO=2 4
+ 2
O2 (ÿ2s) 2 2 (ÿ2s*)2 (ÿ2p) : (ÿ2p*)3(ÿ2p*)1 BO=2.5 (ÿ2p) 4
2
O2 - (ÿ2s*)2 (ÿ2p) : (ÿ2s) BO=1.5 (ÿ2p)
Example Problem
Use the molecular orbital model to predict the bond order for
Ne2 and P2
Ne2 bond order is 0: does not exist
P2 bond order is 3 and diamagnetic

Bonding in heteronuclear
diatomic molecules
Heteronuclear Molecules
• When dealing with different atoms within diatomic molecules we
can still use the MO model to determine bond order
NO example
• Electron configuration?
• MO for the molecule
• The valence electrons from
both atoms fill in the order
expected by the model
• Bond order?
• The bond order is 2.5
Heteronuclear Diatomics
What happens with the

diatomic molecules are very
different?
A molecular orbital forms
between two different
atomic orbitals
– HF example
– Note: energy level
difference
vs. electronegativity
Example Problem
Use the MO model to predict the

bond order of the NO+ and CN-
ions
Both ions have the same

configuration
Their bond order is 3
Fundamental Steps In Deriving MO

Diagrams
1. Find the valence electron configuration of
each atom in the molecule
2. Decide if the molecule is homonuclear of
heteronuclear. Homonuclear, the AOs will be
symmetric. Heteronuclear AOs will be slightly
different because the more electronegative
atom will be placed lower on the diagram.
Fundamental Steps In Deriving

MO Diagrams
3. Fill molecular orbitals using energy and bonding
properties of the overlapping atomic orbitals.
Contributing factors :
– Sigma orbitals are stronger than pi bonds
– Antibonding MOs are higher in energy than bonding MOs
– Constructive overlap = fewer nodes = more stable (less
energetic)
– Destructive overlap = more nodes = less stable (more
energetic)
– # of individual atomic orbitals should equal the number of MOs
4. Fill in the electrons
O to Ne
O to Ne

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Machine Translated by Google

The Evolving Atomic Model

Dalton Model Thomson Model Rutherford Bohr Model

Very similar to a ladder. Just as you cannot

• Ground state: the lowest energy of an atom

Higher excited state

• Energy absorbed ÿ e - moves to higher state

Quantum Mechanical Model

Eÿ(x) = [-(h2 /8ÿ 2m)d2 /dx2 + V(x)] ÿ(x)

The Quantum Mechanical

Modern Atomic Theory

2. The location of an electron can only be described by

• These properties allow us to describe electrons in terms of

Four Quantum Numbers

The Shapes of the s, p, and d Orbitals

What is Electron Configuration?

– Each orbital can hold TWO electrons, so

How do you write this “address” for the

• Hund's rule: orbitals of equal energy are each occupied by one

• Pauli exclusion principle: no two electrons in the same atom will

The Aufbau Principle

Pauli Exclusion Principle

Arrow = electron twenty

– Why? 1s2 2s2 2p3

The order of things…

Electron Configurations – Quick address

3. Atomic # is # of e- as an exponent Example

Energy Level Diagram

Energy Level Diagram

Energy Level Diagram

Energy Level Diagram

Energy Level Diagram

Hund's Rule “maximum

The Diagonal rule

Write the electron configuration

Chemical bonds are the glue that hold molecules

DIFFERENT TYPES OF BONDS

A force that holds groups of 2 or more atoms

Types of Chemical Bonds

• Covalent Bonding – type of bond in which

IONIC – Metal + nonmetal

Types of Covalent Bonds

Types of Covalent Bonds

• Polar covalent – electrons are not shared

Classifying Chemical Bonds

• The polarity of a bond depends on the

Use electronegativity values to classify the

to. Sulfur and Hydrogen 2.58 - 2.20 = 0.38 polar covalen

Covalent Bonding and Molecular Compounds

Formation of a Covalent Bond

Formation of a Covalent Bond

• As the atoms approach one another, the

Formation of a Covalent Bond

Characteristics of the Covalent Bond

• Gilbert N. Lewis suggested a way to keep

Lewis Structure of elements

Lewis Structure of molecules

The Octet Rule

Lewis Structure of molecules

Lewis Structure of molecules

Lewis Structure of molecules

• The lone pairs of electrons are

How to draw LS?