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What is Structure theory?
• The structure theory is organizing how the
atoms are connected to make the bonds in
systematic way.
• It sets the rules and the facts that needs to be
followed.
• It shows how the order that the atoms are
connected and how.
Chemical Bonding
• It is the forces that keep the atoms together. K Br Na Cl
• There two main classes of bonds: ionic and
Ionic Bonds
covalent.
• The ionic bond is made by electron transfer
from one atom to another. H 3C H
• The covalent bond is made by sharing two
electrons. One from each atom. H 3C Br
• What is the rule for atoms to connect to each
other? H 3C OH
• By using atomic orbitals. Covalent Bonds
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Atomic Orbitals Z Z Z Z
Y Y Y Y
• Atomic orbitals
are area in the
X X X X
space in which
the probability to p Orbital - py s Orbital
p Orbital - px p Orbital - pz
find the electron
is high. Z Z Z Z Z
Y Y Y Y Y
• Electrons
occupying a
certain orbitals X X X X X
according to their
d Orbitals d Orbitals d Orbitals d Orbitals d Orbitals
energy.
C H
H H
N H H
N
C N
C H
H
H
C H
H H H H
H
H
H
H
C
H H H C C
O
H
C H H H H
H
C C O O O
H
H H H H H
H atomic H atomic
• The MO is less energy than orbital orbital
HOMO
the atomic orbitals. ψ1 H2 bonding
molecular ψ2
orbital
• The MO is hybrid between Ψ1 + ψ2
the atomic orbitals.
• It is the driving force for
making molecules. H atom H atom
• Both (H) atoms reach the
noble gas (He) electronic H2 Molecule
configuration.
σ bond
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Bonding in Molecular Orbital MO
Antibonding
π* molecular
• The atomic orbitals from each atom orbital
approaches each other and start overlapping.
• The approaching continues and the
overlapping become more and more.
Energy
• Until the distance between the orbitals Atomic p
orbital
Atomic p
orbital
enable them to hybridize. Bonding π
• Head-to-head orbital overlapping gives σ molecular
orbital
bond.
• Side-to-side orbital overlapping gives π bond.
H2 Molecule 10
Hybridization 2s 2p
C
• Let us take carbon atom as example.
2p
• It has two unpaired electrons. sp3
• So basically, it can form two bonds only.
• This not true in reality. 2s
H 3C H 3C C C C C CH2
HO H H H
C CH
N O
C
H H2
C C
HC C C C N C O O
H H2
N
O CH3
H N
CH3
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Hybrid Orbitals - sp
1s 2s 2p
• How the atoms make the covalent bonds with Be
each other?
• Let us take BeCl2 molecule as example for the
sp hybridization.
1s sp 2p
• Be does not have single electron to make a Be
covalent bond.
• One of electron in 2s orbital will be promoted
to one of the 2p orbitals to make a new hybrid 180˚
orbitals called sp.
• The angle between beryllium and chlorine is Cl Be Cl
180.
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Hybrid Orbitals – sp2
1s 2s 2p
• Let us take BF3 molecule as example B
for the sp2 hybridization.
• B have only one single electron to
1s sp2 2p
make a three covalent bonds.
B
• One of electron in 2s orbital will be
promoted to one of the 2p orbitals to
make a new hybrid orbitals called sp2. 120˚
F F
• The angle between boron and fluorine
is 120. B
F
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like a bent. H
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Polarity of Bonds
• Although the bonds are covalent, some
of them have some polarity.
• When one of the two atoms in the
bond have more electron density than F > O > Cl , N > Br > C, H
the other.
Highest
• The bond will be polar. electronegative
• The polarity of the bond is depending atom
on the electronegativity.
• The electronegativity is the tendency of
an atom to pull the electron density.
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Polar Bonds
• Nonpolar bonds such as: H2, H H O O N N
O2, and N2.
• Polar bonds such as OH, CO, δ- δ+ δ- δ+ δ+ δ-
NH, CCl, HF, and CN. HO H H 2 N H H 3 C Cl
• δ- means it is partially δ- δ+ δ+ δ-
negative. F H H 3 C NH2
• δ+ means it is partially
positive. F > O > Cl , N > Br > C, H
• As much difference in the 3.98 3.44 3.16 3.04 2.96 2.55 2.20
electronegativity between the Highest
two atoms as much the bond
is polar. electronegative
atom
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δ- δ+ δ- δ-C O N
O C O δ+
H δ+ H H H H
H
δ+ δ+ δ+ δ+
H H
δ+ δ+
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Structure and Physical Properties
• Physical properties are very related to the
chemical structure.
• Melting point, boiling point, and solubility.
• These properties give us an idea about the
molecule structure and vice versa.
• These physical properties are very useful to
compound isolation, purification, and
characterization.
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Melting Point
• Melting point is one of the most fundamental physical properties.
• It measures the intermolecular forces strength by applying heat.
• In the melting point, a very well organized molecules in the crystal will be
transformed to much less organized liquid.
• Molecules have some attraction forces between them such as Van Der
Waals, dipole-dipole, hydrogen bonds, and ionic bond.
• As much as more attraction forces between the molecules in the crystal as
much as the melting point will increases.
Solubility
• The golden rule “like dissolve like” polar solvents will dissolve polar
solutes and vice versa.
H
O
H H
H
O H H
O O
H
H H H
Na Cl O
H H
O O H H
H H H O O H
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Acids and Bases H2SO4 HCl
CH3COOH
Lowry-Bronsted. Bronsted Acids
• Acid is a material than can give a proton. NaOH
• Base is a material than can accept a proton. Mg(OH)2
For any given substance, as easily can give proton as stronger NH4OH
acid it will be and same rule will be applied to bases. Bronsted Bases
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