IR Analysis Virtual Lab Simulation | PraxiLabs

IR Analysis Virtual Lab Simulation

Chemistry | Analytical Chemistry



As Featured In

General Aim

Analyzing pesticides in a water sample.

Method

Different pesticides will be analyzed for their chemical structure using FTIR. Each sample is will be used in its pure powder form to be analyzed using FTIR. FTIR enables user to detect the characteristic functional groups abundant within the chemical structure to be analyzed. Hence, FTIR can be used along other characterization techniques to predict the chemical structure of the analyzed organic compound.

Learning Objectives (ILO’s)

  • Become proficient at basic concepts of chemical characterization of chemical compounds.

  • Learning basics of spectrometry techniques.

  • Understand mechanism of operation of FTIR.

  • Learn functions of FTIR in chemical compounds analysis.

  • Get trained on using the FTIR and its software.

  • Get trained on using the instruments and their software.

Theoretical Background/Context

When two atoms combine to form a stable covalent molecular, there are two repulsion forces acting between the two hetero atoms. One between the positively charged nuclei of both the atoms and the other between the negative electron clouds. The other force is the attraction between the nucleus of one atom with the electrons of the other atom. Balancing the forces between them, the two atoms settle at a mean internuclear distance or the bond length where the total energy of the system is minimum. Any change like pulling the atoms away or squeezing them brings change in the bond length which requires an input of energy.


A diatomic molecule with the above description is considered as two vibrating masses that are connected by a spring. The internuclear distance between the atoms at energy minimum is referred to as the equilibrium distance (re) Any change in this distance is given by Hooke' law.
There are two significant features that can be drawn:

  1.  Strong bonds have large force constants and vibrate at a higher frequency than the weaker bonds.
  2.  Bonds between the heavy atoms (larger reduced mass) vibrate at a lower frequency than that of bonds between the lighter atoms.

https://ccnsb06-iiith.vlabs.ac.in/exp6/images/figure3_exp6.png

Principle of Work

Different pesticides are analysed through FTIR instrument to obtain the most characteristic functional groups in each compound. Thus, the chemical structure of each can be predicted along with other instrumental analysis techniques. 
 

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