One-Dimensional Box: Analyzing Butadiene's UV/VIS Spectrum

In summary, the problem considers butadiene and its \pi electrons moving on a one-dimensional box with a length estimated to be two C=C bond lengths plus one C-C length. The molecule has four \pi electrons filling the n=1 and n=2 energy levels, with the observed UV/VIS spectrum transition corresponding to an electron exiting the n=3 state. Experimental data shows the absorption of light with a wavelength of 217 nm. To find the energy difference, the equation E = \frac{n^2 h^2}{8 m l^2} can be used, as well as E = hv. The goal is to find the L that gives the desired energy difference, using the given L to find the corresponding energy
  • #1
Mechdude
117
1

Homework Statement



consider butadiene [itex] H_2 C = CH-CH=cH_2 [/itex] and assume for simplicity that [itex] \pi [/itex] electrons move on a straight line (one -dimensional box) whose length l can be estimated as equal to two [itex] C=C [/itex] bond lengths (2*1.35 angstrom) , plus one [itex] C-C [/itex] lengths. Butadiene has four [itex] \pi [/itex] that fill the [itex] n=1 [/itex] & [itex] n=2 [/itex]. the transition observed in a UV/VIS spectrum thus corresponds to the exitationof ane electron from the [itex] n = 3 [/itex] state. Experimentally one finds that this corresponds to the absorption of light with a wavelengths of 217 nm. Compute and compare the lenghts of the 0ne-D box suggested by the sum of the bond length and by the energy of the transition.

Homework Equations



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The Attempt at a Solution



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  • #2
Well what are the energy levels of a 1D well with length L?
 
  • #3
[tex] E = \frac {n^2 h^2}{8 m l^2} [/tex]
is that what I am to use?
If it is may be energy is calculated from [itex] E = hv[/itex]
and the information given then equate that to the energy difference calculated between n=3 and n= 2 ,
if I am headed in the correct direction
 
  • #4
Yes. You will want to find the L that gives that energy difference, and you will want to use the L given to you to find what energy difference that gets.
 
  • #5
nickjer said:
Yes. You will want to find the L that gives that energy difference, and you will want to use the L given to you to find what energy difference that gets.

thanks, nickjer.
regards.
 

1. What is a one-dimensional box model?

A one-dimensional box model is a simplified representation of a chemical system, where the molecule is confined within a one-dimensional potential energy well. This model is often used in quantum mechanics to study the behavior of molecules in specific environments.

2. How does the one-dimensional box model apply to butadiene's UV/VIS spectrum?

The one-dimensional box model is used to explain the absorption of UV/VIS light by butadiene molecules. In this model, the molecule is confined within a one-dimensional potential energy well and the energy levels are quantized. Absorption of UV/VIS light causes electrons to move from the ground state to higher energy levels, resulting in peaks in the spectrum.

3. What factors affect the UV/VIS spectrum of butadiene?

The UV/VIS spectrum of butadiene is affected by several factors, including the length of the one-dimensional box, the energy states of the molecule, and the transition probability between energy levels. Other factors such as temperature, pressure, and the presence of other molecules can also affect the spectrum.

4. How is the UV/VIS spectrum of butadiene analyzed?

The UV/VIS spectrum of butadiene is analyzed by measuring the absorbance or transmittance of light at different wavelengths. The resulting spectrum is then compared to theoretical predictions based on the one-dimensional box model to determine the energy levels and transition probabilities of the molecule.

5. What are the applications of studying the UV/VIS spectrum of butadiene?

Studying the UV/VIS spectrum of butadiene has several applications, including understanding the electronic structure of the molecule, predicting its reactivity with other molecules, and identifying its presence in various environments. This information can also be used in the development of new materials and industrial processes.

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