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UNRAM-FMIPA-KIMIA-STRUCTURE AND CHEMICAL BONDING


Covalent Bond
Explanation and prediction
Ionic Bond Bond Properties of physical and chemical
properties of compounds
Metallic Bond or materials

UNRAM-FMIPA-KIMIA-STRUCTURE AND CHEMICAL BONDING


Covalent Bond Formation
Covalent Bonds are possible in which two or more electrons are shared
between the two atoms.

One way to construct such molecular orbitals (MOs) is to combine the


atomic orbitals of the atoms that make up the molecule. This approach is
known as the Linear Combination of Atomic Orbitals (LCAO).

UNRAM-FMIPA-KIMIA-STRUCTURE AND CHEMICAL BONDING


The combination of two atomic orbitals to give two molecular orbitals, the two
linear combinations are written below so that atomic wave functions are
represented by Ψ, Normalization factor represent by N and molecule wave
function 𝜙. Example: H2

𝝓𝟏 = 𝑵𝟏 (𝜳𝑨 − 𝜳𝑩 )
𝝓𝟐 = 𝑵𝟐 (𝜳𝑨 +𝜳𝑩 )

UNRAM-FMIPA-KIMIA-STRUCTURE AND CHEMICAL BONDING


Your Turn!!!
Approximate a Normalization factor for two
molecular orbitals of molecule H2 !!!

UNRAM-FMIPA-KIMIA-STRUCTURE AND CHEMICAL BONDING


Lennard-Jones Potential
Energy Diagram of 𝑯+
𝟐 𝒅𝒂𝒏 𝑯𝟐

UNRAM-FMIPA-KIMIA-STRUCTURE AND CHEMICAL BONDING


The construction molecule
orbitals(MO) of 𝐻2

UNRAM-FMIPA-KIMIA-STRUCTURE AND CHEMICAL BONDING


Breaking bonds

UNRAM-FMIPA-KIMIA-STRUCTURE AND CHEMICAL BONDING


The construction molecule
orbitals(MO) of 𝐻𝑒2

UNRAM-FMIPA-KIMIA-STRUCTURE AND CHEMICAL BONDING


Bonding Order

𝑁𝑜. 𝑜𝑓 𝑒𝑙𝑒𝑐𝑡𝑟𝑜𝑛𝑠 𝑖𝑛 𝑏𝑜𝑛𝑑𝑖𝑛𝑔 𝑀𝑂𝑠 − 𝑁𝑜. 𝑜𝑓 𝑒𝑙𝑒𝑐𝑡𝑟𝑜𝑛𝑠 𝑖𝑛 𝑎𝑛𝑡𝑖𝑏𝑜𝑛𝑑𝑖𝑛𝑔 𝑀𝑂𝑠


𝐵𝑜𝑛𝑑𝑖𝑛𝑔 𝑜𝑟𝑑𝑒𝑟 =
2

Hence the bond orders for H2 and He2 are:

2−0
𝑏𝑜𝑛𝑑𝑖𝑛𝑔 𝑜𝑟𝑑𝑒𝑟 𝐻2 = =1 𝑖. 𝑒. 𝑆𝑖𝑛𝑔𝑙𝑒 𝑏𝑜𝑛𝑑
2

2−2
𝑏𝑜𝑛𝑑𝑖𝑛𝑔 𝑜𝑟𝑑𝑒𝑟 𝐻𝑒2 = =0 𝑖. 𝑒. 𝑛𝑜 𝑏𝑜𝑛𝑑
2

UNRAM-FMIPA-KIMIA-STRUCTURE AND CHEMICAL BONDING


Your Turn!!!!

What is the Bond order in O2, and N2????

UNRAM-FMIPA-KIMIA-STRUCTURE AND CHEMICAL BONDING


σ
Sigma ( ) Bonding

UNRAM-FMIPA-KIMIA-STRUCTURE AND CHEMICAL BONDING


Bond formation using 2s and 2p atomic orbitals

UNRAM-FMIPA-KIMIA-STRUCTURE AND CHEMICAL BONDING


UNRAM-FMIPA-KIMIA-STRUCTURE AND CHEMICAL BONDING
UNRAM-FMIPA-KIMIA-STRUCTURE AND CHEMICAL BONDING
Heteronuclear diatomics Orbital Diagram of Ionic Bond

Atomic Orbitals

UNRAM-FMIPA-KIMIA-STRUCTURE AND CHEMICAL BONDING


UNRAM-FMIPA-KIMIA-STRUCTURE AND CHEMICAL BONDING
UNRAM-FMIPA-KIMIA-STRUCTURE AND CHEMICAL BONDING
UNRAM-FMIPA-KIMIA-STRUCTURE AND CHEMICAL BONDING
Your Turn!!!
Construct an MO diagram for molecule
𝑁2 , 𝑂2 , 𝑁𝑂, 𝑑𝑎𝑛 𝐻𝐹‼!

UNRAM-FMIPA-KIMIA-STRUCTURE AND CHEMICAL BONDING


Electron Configuration of Molecules

UNRAM-FMIPA-KIMIA-STRUCTURE AND CHEMICAL BONDING


Other factors affecting degree of orbital
interaction

UNRAM-FMIPA-KIMIA-STRUCTURE AND CHEMICAL BONDING


104.7 ̊

90 ̊
2p Orbitals of Oxygen 1s Orbitals Hydrogen
Why?????

UNRAM-FMIPA-KIMIA-STRUCTURE AND CHEMICAL BONDING


the specific linear combinations that give rise to four equivalent hybrid orbitals are:

ℎ1 = 𝑠 + 𝑝𝑥 +𝑝𝑦 +𝑝𝑧 ℎ3 = 𝑠 − 𝑝𝑥 +𝑝𝑦 − 𝑝𝑧

ℎ2 = 𝑠 − 𝑝𝑥 − 𝑝𝑦 +𝑝𝑧 ℎ4 = 𝑠 + 𝑝𝑥 − 𝑝𝑦 − 𝑝𝑧

(Self test) How can be????????????

Tetrahedron

UNRAM-FMIPA-KIMIA-STRUCTURE AND CHEMICAL BONDING


UNRAM-FMIPA-KIMIA-STRUCTURE AND CHEMICAL BONDING
we form sp2 hybrid orbitals:

ℎ1 = 𝑠 + 2𝑝𝑦

3 1
ℎ2 = 𝑠 + 𝑝 − 𝑝
2 𝑥 2 𝑦
(Left) An s orbital and two p orbitals can be hybridized to form
3 1 three equivalent orbitals that point towards the corners of an
ℎ2 = 𝑠 − 𝑝 − 𝑝
2 𝑥 2 𝑦 equilateral triangle. (Right) The remaining unhybridized p orbital
is perpendicular to the plane.

UNRAM-FMIPA-KIMIA-STRUCTURE AND CHEMICAL BONDING


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Conjugate System

UNRAM-FMIPA-KIMIA-STRUCTURE AND CHEMICAL BONDING


A similar description applies to ethyne, HCCH, a linear molecule. Now the C
atoms are sp hybridized, and the  bonds are formed using hybrid atomic orbitals
of the form:

h1 = s + pz h2 = s - pz

UNRAM-FMIPA-KIMIA-STRUCTURE AND CHEMICAL BONDING


UNRAM-FMIPA-KIMIA-STRUCTURE AND CHEMICAL BONDING