How is the length of a particle in a box polyene determined?

In summary, the length of a particle in a box polyene is determined by the number of carbon atoms in the molecule. This number is then used to calculate the length of the box, which is necessary for determining the energy levels and wave functions of the particle. The length of the box also affects the electronic properties of the molecule, such as its energy gap and optical properties. The longer the box, the more energy levels and higher energy gap the molecule will have. The length of the particle in a box polyene can be manipulated by changing the number of carbon atoms, making it a useful tool in studying and understanding the electronic behavior of molecules.
  • #1
Chemist20
86
0
hello there,

i've read in several places the following: if you have a polyene with J double bonds, and taking into account that the average C-C length is aprox 140 pm, then the length of the box is:

L=2J*140

And I don't get why 2? the number of bonds is not 2J, but 2J-1, for cases such as hexatriene"!


HEEEEEEEEEEEEEEEEEEEEEEEEEEEEEEELP!

thanks :)
 
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  • #3
sweet springs said:

thanks, but there it just tells you to do number of carbons times length of bond. which makes sense. I want to be able to related the length of the box to the number of double bonds in the polyene
 
  • #4
Hi. The lines between fomula (4) and (5) may be the answer to your question. Square of number of bonds are corresponding to energy. Regards.
 
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  • #5
sweet springs said:
Hi. The lines between fomula (4) and (5) may be the answer to your question. Regards.

uhhhm thanks but i don't really see what that has to do with the lenght...
 
  • #6
Hi. http://phys-chem.com/pdf/CPL.pdf gives you more detailed explanation. All the pai electrons freely move along the axis of the molecule from one end to the other. They occupy states from the lowest i.e. zero node to higher ones i.e. 1,2 ,3 nodes. Regards.
 

1. What is a particle in a box polyene?

A particle in a box polyene is a theoretical model used in quantum mechanics to describe a molecule with alternating single and double bonds. It is often used to study the behavior of electrons in conjugated systems.

2. How does the particle in a box polyene model work?

The model assumes that the molecule is confined within a one-dimensional box, and the electrons are described as waves that can only exist within the box. The length of the box is determined by the number of carbon atoms in the polyene chain.

3. What is the significance of the particle in a box polyene model?

The model helps to explain the electronic structure and properties of conjugated molecules, such as their absorption and emission spectra. It also provides insight into the delocalization of electrons in these systems.

4. What are the limitations of the particle in a box polyene model?

The model is a simplified representation of real molecules and does not take into account factors such as the effects of neighboring atoms or molecular vibrations. It also assumes that the electrons are confined to a one-dimensional box, which is not always the case in real molecules.

5. How is the particle in a box polyene model used in research?

The model is used in theoretical studies and simulations to predict the behavior of conjugated molecules and their electronic properties. It has also been used to design and optimize new materials for various applications, including organic electronics and photovoltaics.

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