IR Spectroscopy, Exercises of Chemistry

Spectroscopy: Branch of science in which light or other electromagnetic radiation is resolved into its component wavelengths to produce spectra, which are ...

Typology: Exercises

2022/2023

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IR Spectroscopy
Spectroscopy: Branch of science in which light or other electromagnetic radiation
is resolved into its component wavelengths to produce spectra, which are graphs of
intensity vs. wavelength or frequency of radiation.
Current usage broadens this definition to include some methods that don’t involve
electromagnetic radiation, such as mass spectroscopy (also called mass spectrometry), or
electron spectroscopy.
This is a useful approach to study matter, since matter will interact with electromagnetic
radiation to absorb or emit certain frequencies of radiation which are characteristic of the
sample of matter.
As we saw when we studied the H atom, radiation is absorbed or emitted only in the
frequency of light matches the energy difference of 2 quantum levels of the sample of
matter.
ν
hE =
IR Spectroscopy
Tool for examining vibrations in molecules. IR spectra are usually taken in the
range m
µ
λ
0.155.2~ , which corresponds to 6504000
cm-1.
(e.g. ,
cmmm 46 105.2105.25.2 ==
µ
1
44000
105.2
1
=
cm
cm )
The whole IR region is considered to be around
( ) to ()
cm
5
108~
λ
1
500,12
cm cm
1
101
10
cm
λ
λ
1
190 - 300 nm 52,600 – 30,000 cm-1 ultraviolet electronic
transitions
330 - 800 nm 30,000 – 12,500 cm-1 visible Electronic
transitions often in
conjugated
molecules
800 - 2500 nm 12,500 – 4,000 cm-1 “near IR” overtone vibrations
2.5 - 15µm 4,000 – 650 cm-1 “mid IR” fundamental
vibrations
1.5·10-3 - 10-1 cm 650 – 10 cm-1 “far IR” “floppy” vibrations
10-1 – 10 cm 10 – 0.1 cm-1 microwave Rotations
>10 cm < 0.1 cm-1 microwave NMR
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IR Spectroscopy

Spectroscopy: Branch of science in which light or other electromagnetic radiation is resolved into its component wavelengths to produce spectra, which are graphs of intensity vs. wavelength or frequency of radiation.

Current usage broadens this definition to include some methods that don’t involve electromagnetic radiation, such as mass spectroscopy (also called mass spectrometry), or electron spectroscopy.

This is a useful approach to study matter, since matter will interact with electromagnetic radiation to absorb or emit certain frequencies of radiation which are characteristic of the sample of matter.

As we saw when we studied the H atom, radiation is absorbed or emitted only in the frequency of light matches the energy difference of 2 quantum levels of the sample of

matter. ∆ E = h ν

IR Spectroscopy Tool for examining vibrations in molecules. IR spectra are usually taken in the range λ ~ 2. 5 − 15. 0 μ m , which corresponds to 4000 − 650 cm-1.

(e.g. 2. 5 μ m = 2. 5 ⋅ 10 −^6 m = 2. 5 ⋅ 10 −^4 cm , 4 4000 1

⋅ −^ cm = cm ) The whole IR region is considered to be around

λ ~ 8 ⋅ 10 −^5 cm ( 12 , 500 cm −^1 ) to 10 −^1 cm ( 10 cm −^1 )

λ^1 λ

190 - 300 nm 52,600 – 30,000 cm-1^ ultraviolet electronic transitions 330 - 800 nm 30,000 – 12,500 cm-1^ visible Electronic transitions often in conjugated molecules 800 - 2500 nm 12,500 – 4,000 cm-1^ “near IR” overtone vibrations 2.5 - 15μm 4,000 – 650 cm-1^ “mid IR” fundamental vibrations 1.5·10-3^ - 10-1^ cm 650 – 10 cm-1^ “far IR” “floppy” vibrations 10 -1^ – 10 cm 10 – 0.1 cm-1^ microwave Rotations

10 cm < 0.1 cm-1^ microwave NMR

  • Nearly all molecules absorb IR radiation - some exceptions: N 2 , O 2.
  • IR spectrum is unique for each molecule – can be used to help identify structure, or test for presence of molecules whose IR spectra are known. Frequently used to test for federally regulated atmospheric pollutants.
  • Different types of instruments o dispersive spectrometers – light passes through sample, then through a monochromator, then to detector. By selecting different frequencies w/ the monochromator, the whole spectrum can be obtained. o fourier-transform spectrometers – high-sensitivity, resolution quicker to take spectrum because all wavelengths are detected simultaneously – they are separated by applying a Fourier transform to the specially modulated source signal. o filter photometers – used to detect specific molecules, as in atmospheric pollutants. Come with special filters for molecules of interest.
  • All use a heated solid for source of IR radiation, and IR detectors respond to heat rather than photons.

C=O str overtone

aromatic OOP C---H def