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Figure: Normal Modes of Vibrations in A CO Molecule

The document discusses normal modes of molecular vibrations. There are three main points: 1) Normal mode vibrations occur when all nuclei in a molecule vibrate at the same frequency and phase without changing the molecule's center of gravity or causing rotation. 2) Molecules have defined vibration modes depending on their structure, such as stretching, bending, and torsion modes. 3) Fourier transform infrared spectroscopy (FTIR) uses an interferometer and Fourier transform to obtain infrared spectra over a range of wavelengths simultaneously. It provides information on a molecule's infrared-active vibration modes.

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127 views9 pages

Figure: Normal Modes of Vibrations in A CO Molecule

The document discusses normal modes of molecular vibrations. There are three main points: 1) Normal mode vibrations occur when all nuclei in a molecule vibrate at the same frequency and phase without changing the molecule's center of gravity or causing rotation. 2) Molecules have defined vibration modes depending on their structure, such as stretching, bending, and torsion modes. 3) Fourier transform infrared spectroscopy (FTIR) uses an interferometer and Fourier transform to obtain infrared spectra over a range of wavelengths simultaneously. It provides information on a molecule's infrared-active vibration modes.

Uploaded by

Zahir Rayhan Jhon
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 PPTX, PDF, TXT or read online on Scribd
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Normal Mode of Molecular Vibrations

 The vibrations of nuclei in a molecule can be characterized with properties of the normal
mode vibration. The normal mode vibration of molecules has the following characteristics:
• nuclei in a molecule vibrate at the same frequency and in the same phase
(passing their equilibrium positions at the same time) and
• nuclear motion does not cause rigid body movement (translation) or rotation of
molecules

 The normal mode of molecular vibrations ensures that a molecule vibrates at its
equilibrium position without shifting its center of gravity. Each type of molecule
has a defined number of vibration modes and each mode has its own frequency.

 The diatomic model, which has only one


stretching mode.

 Polyatomic molecules, the vibrations are more


complicated. For example, a linear molecule of
three atoms connected by two bonds has a total
of four vibration modes.

 These vibration modes include two stretching Figure: Normal modes of vibrations in a CO2
modes and two bending modes. molecule
Normal vibration modes of a triatomic molecule are three: symmetric stretching, asymmetric
stretching, and bending in the plane of the figure.

Figure: Normal modes of vibrations in a H2O molecule.

Classification of Normal Vibration Modes

It is possible to categorize the various modes of molecular vibration modes into


four types:
1) stretching vibration (ν);
2) inplane bending vibration (δ);
3) out-of-plane bending vibration (γ); and
4) torsion vibration (τ)
 The last three types only change the bond angles, but do not stretch bonds. The torsion
vibration can be considered as a special type of bending vibration, as illustrated in Table
9.1.

 Thus, it can be said that a vibration is either the stretching or the bending type. γ and τ
only occur in molecules that have at least three bonds.

 Generally, the vibration frequency varies with vibration type.

 The frequency decreases with increasing number of bond involves.


Infrared and Raman Activity

 Among the total number of normal vibration modes in a molecule, only some
can be detected by infrared spectroscopy and such vibration modes are referred to
as infrared active.

 The vibration modes that can be detected by Raman spectroscopy are referred to as Raman
active.

 Only active modes can be seen as vibration bands in their respective infrared or Raman
spectra.

Figure: Comparison of IR and Raman spectrum with the example of CHCl 3 molecule
Fourier Transform Infrared Spectroscopy

FTIR is an infrared spectroscopy in which the Fourier transform method is used to obtain an
infrared spectrum in a whole range of wave numbers simultaneously.

It differs from the dispersive method that entails creating a spectrum by collecting signal at
each wave number separately.

Working Principles
The interferometer is composed of one beam splitter and two mirrors. The beam splitter
transmits half of the infrared (IR) beam from the source and reflects the other half. The two
split beams strike a fixed mirror and a moving mirror, respectively. After reflecting from the
mirrors, the two split beams combine at the beam splitter again in order to irradiate the sample
before the beams are received by a detector.

Figure: Optical diagram of a Michelson interferometer in FTIR


A plot of light interference intensity as a function of optical path difference is called
an interferogram.

The interferogram received by the detector is not an infrared spectrum

A computer equipped with a FTIR instrument constructs the infrared spectrum


using a fast Fourier transform (FFT) algorithm that substantially reduces the
computation time
Instrumentation
Infrared Light Source

 The infrared light source generates wideband radiation by heating solid materials
to incandescence using electric power.
 There are two commonly used IR sources: the Nernst glower, which is composed of
mainly oxides of rare-earth elements; and the Globar, which is composed of silicon
carbide.
Beam splitter

 Beam splitters should be made of material semi transparent to infrared light.

 Beam splitters should reflect a one-half portion of infrared light to the moving
mirror while transmitting the rest to a fixed mirror.
 The most common beam splitter has a sandwich structure, with a thin layer of
germanium (Ge) between two pieces of potassium bromide (KBr); it works well in the
wave number range 4000 to 400 cm-1. Ge is able to split infrared light. KBr is a good
substrate material because it is transparent to infrared light.

Infrared Detector

 The infrared detector is a device to measure the energy of infrared light from the sample being
examined. It functions as a transducer to convert infrared light signals to electric signals. There are two
main types: the thermal detector and the semiconductor detector.
Fourier Transform Infrared Spectra

 An infrared spectrum converted from an interferogram by Fourier transform is called a


single-beam spectrum. A single-beam spectrum includes both spectra from the sample and
background. The background spectrum contains only the information from the instrument
and atmosphere, not from the sample being examined.

Figure 9.20 (a) Single-beam FTIR spectrum of background: a plot of raw detector response versus wave
number without a sample; (b) a sample single-beam FTIR spectrum of polystyrene (vibrational bands of
polystyrene are superimposed on background spectrum); and (c) final FTIR spectrum of polystyrene that
only contains the vibration bands from the polystyrene sample (absorption intensity is expressed as
the transmittance).
 To eliminate the background influence, the ratio of the single-beam spectrum of a sample
to the background spectrum should be made. This process results in a transmittance
spectrum as shown in Figure 9.20c. Transmittance (T) is defined as the ratio of intensities

I is the intensity measured in a single-beam spectrum of sample and Io is the


intensity measured in the background spectrum. Transmittance is often expressed
as %T.

The spectrum can also be presented as absorbance (A) versus wave number as
shown in the following Figure. The absorbance is calculated from the transmittance

Figure: FTIR spectrum where the absorption intensity is expressed as absorbance.

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