Bending vibrations are also divided into in-plane bending and out-of-plane bending. In-plane bending happens when the two atoms remain in the same direction as the third atom, and it is further divided into 2 different phenomena called rocking and scissoring. Rocking happens when the two atoms moved in the same direction, while scissoring happens when the two atoms rock, move towards and away from each other.
Out-of-plane bending happens when the two atoms move out of the same plane as the third atom. It is further divided into two phenomena too, wagging and twisting. Wagging happens when the two atoms move together into and out of the pane of the third atom, while twisting occurs when one of the atoms moves forward and the other moves backwards, or when the 2 atoms rotate around the third atom.
From the name infrared spectroscopy, we can know that it utilizes IR radiation. The absorption of IR radiation is based on the dipole moment of the molecules. The dipole moment is the quantitative measurement of the charge distribution in the molecule. Molecules can be said to be polar or non-polar. Polar molecules have an unequal distribution of positive and negative charges. The less equal the distribution of charges, the greater the numerical magnitude of the moment; and the greater the dipole moment, the greater polarity in the molecule. Simply it means, when there is no dipole moment there will not be absorption of IR radiation, when there is dipole moment, IR radiation will then be absorb.
Lastly, there are three conditions to be satisfied before a molecule absorbs IR radiation. First, the frequency of incident radiation must be the same with the natural frequency of the vibrating molecule. Secondly, the change in bond length or angle due to vibrational or rotational motion must cause a net change in the dipole moment of molecule. Lastly, radiation energy must must be the same to the energy difference of the ground and excited states of the molecule.
4. Procedure
4.1 Calibration
1) The polystyrene film was inserted
2) The spectrum was recorded
3) The wave number (cmֿ¹) was measured accurately and tabulated against the following characteristic absorption bands found in the polystyrene film:
4) The 1601 cmֿ¹ was checked if it falls within 1601± 5 cmֿ¹ on the chart paper. The scan was repeated with the chart paper suitably repositioned if it does not fall into the range.
4.2 Preparation and identification of functional groups of liquid samples
1) A few drops of carbon tetrachloride were dropped between two KBr discs, and air bubbles were avoided to be trapped in the film.
2) The discs were mounted on a sample holder
3) They were then placed in the infrared spectrometer and the spectrum was recorded
4) The spectrum was examined
5) The scan was repeated if the spectrum is outside the calibration range or if there was any off-scale regions because the film prepared was too thick
6) From the spectrum print-out, the wave number (cmֿ¹) of those major characteristic absorption bands were measured as accurately as possible
7) Steps (1) to (6) were repeated for the following liquid samples: n-hexane,toluene,methyl ethyl ketone, n-butanol,sec-butanol and tert-butanol
4.3 Preparation and identification of functional groups of solid samples
1) About 30 mg of benzoic acid was weighed and transferred to a mortar
2) 2 – 3 drops of paraffin oil were added to the mortar and grinded until a uniform, semi-transparent paste which is also called mull is obtained
3) The mull was transferred to a KBr disc and covered with a second disc
4) The discs were mounted on a sample holder
5) The sample holder was placed in the infrared spectrometer and the spectrum of the mull was recorded
6) The reading for the spectrum was recorded on the same chart paper using different coloured inks for the spectrum of the paraffin oil
7) From the spectra print-out, the wave number (cmֿ¹) of the absorption bands of benzoic acid alone was measured as accurately as possible
8) Steps (1) – (7) were repeated using fluorolube instead of paraffin oil
4.4 Determination of principal structures / functional groups of an unknown sample
1) The unknown sample was prepared using a suitable preparation method
2) The spectrum was recorded
5. Results and Calculations
1) Results for calibration
2) Tables for procedures 4.2 and 4.3
8. References
Infrared spectroscopy, website: http://www.organicworldwide.net/infrared.html
[Accessed 29 August 2003]
Characteristic IR Band Positions, website: http://infrared.als.lbl.gov/IRbands.html
[Accessed 29 August 2003]
Molecular Vibrations and IR Spectroscopy, website: http://academic.pg.cc.md.us/~ssinex/IR_spect.ppt
[Accessed 30 August 2003]
Infrared spectroscopy, website:
http://www.cem.msu.edu/~reusch/VirtualText/Spectrpy/InfraRed/infrared.htm
[Accessed 30 August 2003]
9. Appendix
Characteristic IR Band Positions