CHEMISTRY PROJECT FILE
SUBMITTED TO:
Dr. Manish Gupta
SUBMITTED BY:
Shambhavi Malviya
CERTIFICATE
This is to certify that Shambhavi Malviya ; students of XI ‘A’
have successfully completed their investigatory Chemistry
project on the topic Molecular Orbital theory, Valence bond
theory,Valence shell Electron Pair Repulsion under the
guidance of ´´Dr. Manish Gupta´´.
____________________
Chemistry Teacher
Manish Gupta
ACKNOWLEDGEMENT
I would like to express my special thanks of gratitude to
our Chemistry teacher [Link] Gupta for their abled
guidance and support in completing my project.
We would also like to extend our gratitude to the Principal,
Mrs. Susmita Deb for providing us with all the facilities that
were required.
DATE:
INDEX
1. Molecular Orbital
theory(MOT).
2. Valence bond
theory(VBT)
[Link] shell
electron pair
repulsion(VSEPR).
Molecular Orbital Theory
It was given by Hund and Mulliken in 1932.
[Link] orbital + A.O —> Molecular
orbital.
[Link] are two types of molecular orbital:
★ Bonding molecular orbital(BMO).
★ Anti-bonding molecular
orbital(AMO).
3.
Here ψ is called psi and known as wave function. These are
addition of wave function and formation of BMO.
[Link] of wave function (formation of
AMO).
higher energy and less stability than BMO.
The electrons are filled into molecular orbitals
in the increasing order of orbital energy (from
the orbital with the lowest energy to the orbital
with the highest energy).
The most effective combinations of atomic
orbitals (for the formation of molecular
orbitals) occur when the combining atomic
orbitals have similar energies.
In simple terms, the molecular orbital theory
states that each atom tends to combine
together and form molecular orbitals. As a
result of such an arrangement, electrons are
found in various atomic orbitals, and they are
usually associated with different nuclei. In
short, an electron in a molecule can be present
anywhere in the molecule.
Molecular orbital theory approximation of the
molecular orbitals as linear combinations of
atomic orbitals can be illustrated as follows.
Valence Bond Theory
It is based on the knowledge of atomic
orbitals, electronic configuration of elements ,
the criteria of overlapping of atomic orbitals
and the hybridisation of atomic orbitals and
the principles of variation and superposition.
Bond enthalpy : The energy released during
formation of a bond
Orbital overlap concept : - According to this
concept , a covalent bond is formed by the
overlapping of two half - filled atomic orbitals
, of valence shell having electrons with
opposite spins. Greater , the overlapping of
atomic orbits . Stronger is the bond formed
between two atoms
Types of overlapping and Nature of
covalent Bonds :
Sigma (σ) bond : This type of bond is formed
by end to end (head-on) overlap of bonding
orbitals along the internuclear axis. It is also
known as head on overlap or axial overlap .
This can be formed by any one of the
following types of combinations of atomic
orbitals:-
s-s overlapping : Overlap of two half - filled
s-orbitals along the internuclear axis .
s-orbital s-orbital s-s overlapping
s-p overlapping: This overlap takes place
between half - filled s-orbitals of one atom and
half - filled p-orbitals of another atom.
s-orbital p-orbital s-p overlapping
p-p overlapping: Occurs between half filled
p-orbitals of the two approaching atoms .
p-orbital p-orbital p-p overlapping
pi (π) bond : Atomic orbitals overlap in such a
way that their axes remain parallel to each
other and perpendicular to internuclear axis .
The orbitals formed due to side wise
overlapping of two saucer type charged clouds
above and below the plane of participating
atoms.
π - bond is a weaker bond as compared to σ
bond due to smaller extent of overlapping . In
the formation of multiple bonds (double or
triple bonds) between two atoms of a molecule
π-bond Is) is formed in addition to a Sigma
bond . eg : a double bond contains one σ and
one π - bond , whereas a triple bond contains
one σ and two π-bonds .
Valence shell Electron Pair
Repulsion Theory
● The number of valence shell electron pairs (bonded
or non-bonded ) present around the central atom
decides the shape of the molecules . (The shared
electron pairs are called bond pairs and unshared or
nonbonding electrons are called lone pairs.)
● Electron pairs of valence shell repel one another
because their electron clouds are negative charged .
● These electron pairs arrange themselves in such a way
so that there is minimum repulsion and maximum
distance in between them . 0 Valence shell is
considered as sphere in which electron pairs are
localised on spherical surface at maximum distance
from one another.
● A multiple bond is treated as , if it is a single electron
pair and the two or three electron pairs of a multiple
bond are treated as a single super pair.
● A lone pair occupies more space than a bonding pair ,
since it lies closer to central atom . [ LP → done pair ,
BP → Bond Pair] therefore,Order of Repulsion :
(LP-LP) > ( BP - LP) > (BP - BP)
Shape of Molecules on basis of VSEPR Theory :
[It depends on LP + BP] present around the central
atom of a molecule as :
THANK YOU
