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Mo 6

The document discusses the molecular orbital theory, focusing on the overlap of atomic orbitals and the resulting bonding and antibonding molecular orbitals. It explains how electronic charge density varies with internuclear distance and illustrates the differences in charge density between bonding and antibonding orbitals. Graphical representations are provided to show the distribution of electron density in relation to the internuclear distance.

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14 views1 page

Mo 6

The document discusses the molecular orbital theory, focusing on the overlap of atomic orbitals and the resulting bonding and antibonding molecular orbitals. It explains how electronic charge density varies with internuclear distance and illustrates the differences in charge density between bonding and antibonding orbitals. Graphical representations are provided to show the distribution of electron density in relation to the internuclear distance.

Uploaded by

najemalam29
Copyright
© © All Rights Reserved
We take content rights seriously. If you suspect this is your content, claim it here.
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Download as PDF, TXT or read online on Scribd
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CHEMISTRv

100 CHEMISTRY FOR DEGREE


STUDENTS SEMESTER-I (INORGANIC
RY
g-bond.
n-bond is a weaker bond than a
net result is that a
The
to which of these pairs of A0's result in positive
Show by LCAO method as
Example.
overlap
stP

PtP:
Pt P
2-axis may be assumed as a molecular axis.
Solution: s +p, andp, +p, will result in positive overlap.

3.3.6 Variation of electronic charge with internuclear distance


functions yMg and determine the distribution of
From the molecular orbital wave y'Mo, we can

electron charge in the molecule.


Writing the wave functions ofmolecular orbitals in terms
ofthose of ls atomic orbitals oftwo atoms a
and b
Mo Vi +Vls,
MO1sa1sh
Taking squares of both sides of the above equations
VMo=[Vi tVí, +21»a Vish
V=[v ISa +
MO TSh 21 Vis,
It is observed that the bonding MO functions shows an increase in the electron charge density
in the overlap region by an amount 21s, Vsb over that of the individual atoms as described by the

functions vand
ISa sp

This is represented graphically in Fig. 3.40. The dotted lines represent the charge densities of
individual atoms and heavy lines represent the electron density for bonding MO.

MO

Internuclear
distance
Fig. 3.40. Graph of electron density vs. distance
results.
On the other hand the antibonding MO functions
results in decrease in the
overlap region by an amount charge density in
i Vi,. This is represented in Fig. 3,41. It is also clear that bonding
MO favours electron density as it is concentrated between
the nuclei, whereas the
tends to decrease the charge density between the nuclei and antibonding M
atoms.
concentrate it in regions on the individua

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