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Basics of Microwave Spectros

The syllabus covers instrumental methods of chemical analysis, focusing on the characterization of materials using techniques such as X-ray diffraction, thermal analysis, and various spectroscopic methods including microwave, FTIR, UV-visible, and NMR spectroscopy. It emphasizes the principles of microwave spectroscopy, particularly its application in studying molecules with permanent dipole moments and its role in determining molecular structures. Additionally, it discusses the classification of rigid rotors and the calculation of moments of inertia for different molecular structures.

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119 views25 pages

Basics of Microwave Spectros

The syllabus covers instrumental methods of chemical analysis, focusing on the characterization of materials using techniques such as X-ray diffraction, thermal analysis, and various spectroscopic methods including microwave, FTIR, UV-visible, and NMR spectroscopy. It emphasizes the principles of microwave spectroscopy, particularly its application in studying molecules with permanent dipole moments and its role in determining molecular structures. Additionally, it discusses the classification of rigid rotors and the calculation of moments of inertia for different molecular structures.

Uploaded by

pranav.mcv21
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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SYLLABUS

Instrumental methods of chemical analysis


Unit-IV
• Characterization of materials using X-ray diffraction (XRD), thermal Analysis (TGA-
DTA-DSC), basics and application of Microwave spectroscopy, FTIR, UV-visible
spectroscopy; NMR spectroscopy; Chromatographic techniques (GC, HPLC).

Part-1 Part-2 Part-3


Characterization of Basics and Basics and
materials using X- application of application of NMR
ray diffraction Microwave spectroscopy;
(XRD), thermal spectroscopy, FTIR, Chromatographic
Analysis (TGA- UV-visible techniques (GC,
DTA-DSC). spectroscopy. HPLC).

1
oduction: Microwave Spectroscop
• Microwave spectroscopy is proving in recent years a great
asset in the study of various problems in physics, chemistry,
electronics and even astronomy.
• Particularly, this has been found to be very useful in the
determination of the structures of those molecules which do
not give good results by using Raman and infrared
spectroscopy.
• The ability to measure frequencies more precisely in the
microwave region allows very accurate calculations, than in
the infrared-visible-ultraviolet region and accuracy of the
order of 0.001 to 0.005 Aº is possible.
• These spectra result from transitions between the rotational
energy levels of a gaseous molecule on the absorption of
radiations falling in the microwave region.

2
• These spectra are shown by molecules which possess a
permanent dipole moment, e.g. HCl, CO, H2O vapor, NO, etc.
• Homo-nuclear diatomic molecules such as H2, Cl2, etc., and
linear polyatomic molecules such as CO2, which do not
possess a dipole moment, do not show microwave spectra.
• The microwave spectroscopy explores that part of the
electromagnetic spectrum which is extending from 100µm
(3x1013 Hz) to 1 centimetre (3x1010 Hz).
• This region of electromagnetic spectrum is designated as
the microwave region.
• This lies between the far infrared and conventional radio
frequency regions.
• Spectroscopic applications of microwave consist almost
exclusively of absorption works, rather than the emission
type.
• In most of the cases, absorption of microwave energy
represents changes of the absorbing molecule from one
3
rotational level to another.
• Therefore, the microwave spectroscopy deals with the pure
rotational motion of the molecules and is also known as
rotational spectroscopy.
• The condition for observing resonance in that region is that a
molecule must possess permanent dipole moment.
• When a molecule having dipole moment rotates, it generates
an electric field which can interact with the electric
component of the microwave radiation.
• During the interaction, energy can be absorbed or emitted
and thus the rotation of the molecule gives rise to a spectrum.
• If molecules are not having dipole moment, interactions are
not possible and these molecules are said to be “microwave
inactive”.
• Examples of such molecules are H2, Cl2, etc. On the other
hand, the molecules like HCl, CH3Cl, etc. are having dipole
moments and their interaction will give rise to a spectrum.
• Such molecules are said to be “microwave active”.
• Generally, the microwave spectra obtained in most of the4
Microwave (Rotational)
spectroscopy
 It is concerned with transitions between rotational energy levels
in the molecules.

 The molecule gives a rotational spectrum only if it has a


permanent dipole moment:

 H-Cl, and C=O give rotational spectrum (microwave active).

 H-H and Cl-Cl don't give rotational spectrum (microwave


inactive).

 Which of the following molecules would show rotational


5
Microwave (Rotational)
spectroscopy

 Rotational
spectroscopy is
only really
practical in the
gas phase
where the
rotational
motion is
quantized. In
solids or liquids
the rotational
motion is
usually
quenched due 6
to collisions
General features of
rotating system:
1. Rotational motion in classical mechanics

 Rigid Rotors: molecules in which bonds don't distort under the


stress of rotation.

7
General features of
rotating system:

I = m . r2

Where: ri is the perpendicular distance of the atom i from the axis


of rotation (bond length).

Moment of inertia (I), also called mass moment of inertia which


is a measure of an object's resistance to changes in its rotation
rate. It is the rotational analog of mass.
8
General features of
rotating system:
A molecule can have three different moments of inertia Ia, Ib and
Ic ,according to the axis of rotation.

9
Rigid rotors are
classified into four
1. groups:
Linear rotors: such as diatomic or linear molecules, as H-Cl,
O=C=S, acetylene and O=C=O, have; Ia = 0 and Ib= Ic.

2. Spherical tops rotors: e.g. CH4, SiH4 and SF6 have three
equals moment of inertia. Ia = Ib= Ic.

3. Symmetric tops rotors: e.g. NH3, CH3CN and CH3Cl, have two
equal moments of inertia. , Ia = Ib ≠ Ic.

4. Asymmetric tops rotors: e.g. H2O, CH3OH, vinyl chloride


10
CH2=CHCl and formaldehyde, have three different moments of
Classes of Rotating
Molecules

11
Classes of Rotating
Molecules
Q. Calculate the moment of inertia of water molecule around
the axis defined by the bisector of HOH bond. bond angle
(HOH) = 104.5o and bond length (OH) = 95.7 pm ? (H =
1.0079, Atomic mass unit = 1.6606 x 10-27 kg).

12
13
Rotational Spectra of
Linear Rigid Rotators

14
Energy levels of a rigid
diatomic rotor

15
Energy levels of a rigid
diatomic rotor
Example: From microwave spectroscopy, bond lengths can be
determined with a correspondingly high precision, as illustrated in this
example. From the rotational microwave spectrum of 1H35Cl, we find
that B = 10.59342 cm-1. Given that the masses of 1H and 35Cl are
1.0078250 and 34.9688527 amu, respectively, determine the bond
length of the 1H35Cl molecule.

16
Rotational transitions in
rigid diatomic molecule

17
Transitions observed in
the rotational spectrum

18
Transitions observed in
the rotational spectrum

19
20
Microwave Spectrum

21
Examples of rotational
spectra of rigid diatomic
molecules

22
Rotational Spectrum of CO

23
Example: The first rotational line in the rotational spectrum of CO is
observed at 3.84235 cm-1. Calculate the rotational constant (B) and
bond length of CO. The relative atomic weight C =12.00 and O =
15.9994, the absolute mass of H= 1.67343x10-27 kg.

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