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Ftir & Dipole Change2

1) A dipole moment is a vector quantity that describes the separation of positive and negative charges in a molecule. It is calculated from the amount of charge at either end of a bond and the distance between them. 2) Whether a molecule has a dipole moment depends on its symmetry - non-symmetric molecules will have a dipole moment while symmetric ones will not. 3) There are different types of molecular vibrations including stretching, where the bond distance changes, and bending, where the bond angle changes. Stretching and bending vibrations can be either symmetric or asymmetric.

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111 views10 pages

Ftir & Dipole Change2

1) A dipole moment is a vector quantity that describes the separation of positive and negative charges in a molecule. It is calculated from the amount of charge at either end of a bond and the distance between them. 2) Whether a molecule has a dipole moment depends on its symmetry - non-symmetric molecules will have a dipole moment while symmetric ones will not. 3) There are different types of molecular vibrations including stretching, where the bond distance changes, and bending, where the bond angle changes. Stretching and bending vibrations can be either symmetric or asymmetric.

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mulia_muis
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© © All Rights Reserved
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FTIR & DIPOLE CHANGE

MULIANA ISMAIL
2012901531

Dipole moment
A dipole moment is a vector quantity - it

has both size and direction.

*d
where is the bond dipole moment in
coulomb-meters, is the amount of charge
at either end of the dipole, given in
coulombs, and d is the distance between
the charges in meters
IR active/ in active??
2

lpetit@clemson.edu

Dipole moment
Any molecule where the overall centre of the positive

charges and the overall centre of the negative charges


coincide will have zero dipole moment. This happens
in molecules with sufficiently symmetric shape.
So it is the shape of a molecule that is important
in determining whether it has a dipole moment.
For a complete molecule the overall dipole moment is
calculated as the vector sum of individual dipole
moments

Vibrations
Stretching: Change

in inter-atomic
distance along bond
axis

Bending: Change in

angle between two


bonds. There are four
types of bend:

The symmetric stretch/bend is an easier


deformation than the asymmetric stretch/bend

The bending vibration is much easier than


stretching

IR inactive
Raman active

IR active
Raman inactive

NON LINEAR

STRETCHING

BENDING

Theory: Hookes law


the frequency of the vibration of the spring is

related to the mass and the force constant of the


spring,k, by the following formula:

1
v
2

k
m

where k is the force constant, m is the mass, is


the frequency of the vibration
In this approximation, two atoms and the
connecting bond are treated as a simple harmonic
oscillator composed of 2 masses (atoms) joined
by a spring

Theory: Classical vibrational Frequency


for a diatomic molecule
Same equation with reduced mass

with

k
reduced _ mass

m1 m2
reduced _ mass
m1 m2

With K the force constant indicating the strength


of the bond
If there is a high value of K, the bond is strong, it
absorbs a higher frequency of light.
The larger the two masses, the lower the
frequency of light absorbed.
7

Table 1: Bond streching frequencies

In real life!
If there are more atoms, there will be more

bonds. More complex molecules may have


many bonds, and vibrations can be
conjugated, leading to infrared absorptions at
characteristic frequencies that may be related
to chemical groups. This will produce a more
complicated spectrum.
When unknown compounds are analyzed, a full

spectrum is normally run. The goal is to


identify the presence of a particular
functional group and determine its
location on a known molecule

References
http://www.organicworldwide.net/indexnew

.html?infrared.html&boven.html&onder.htm
l
http://sis.bris.ac.uk/~sd9319/spec/IR.htm
http://www.nuance.northwestern.edu/KeckII/

ftir1.asp
http://www.ijvs.com/volume5/edition5/secti

on1.html
10

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