Question regarding Energy of a Particle in a Box is Quantized

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SUMMARY

The discussion centers on the quantization of energy levels for a particle in a one-dimensional box, specifically applied to the pi electrons in butadiene (H2C=CHCH=CH2). The total length for the movement of these electrons is calculated as 578 pm, derived from the bond lengths and atomic radii. The energy levels are determined using the formula E = h²n²/(8ma²), with the Pauli Exclusion Principle dictating that the four pi electrons occupy the first two energy levels. The transition energy from the n=2 state to the n=3 state is expressed as ΔE = h²(3² - 2²)/(8ma²).

PREREQUISITES
  • Understanding of quantum mechanics principles, particularly the particle in a box model.
  • Familiarity with the Pauli Exclusion Principle and its implications for electron configurations.
  • Knowledge of molecular structure, specifically the arrangement of pi electrons in conjugated systems.
  • Basic grasp of energy quantization and the use of the formula E = h²n²/(8ma²).
NEXT STEPS
  • Research the derivation and implications of the particle in a box model in quantum mechanics.
  • Study the Pauli Exclusion Principle and its application in multi-electron systems.
  • Explore the concept of molecular orbitals and their degeneracy in conjugated hydrocarbons.
  • Learn about energy transitions in quantum systems, focusing on calculating ΔE for various states.
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Students and professionals in quantum chemistry, physicists, and anyone studying molecular orbital theory and electron configurations in conjugated systems.

luckymango
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I'm not sure how should I ask the question, so I'm going to go ahead and quote from the book.

"The model of a particle in a one-dimensional box has been applied to the pi electons in a linear conjugated hydrocarbons. Consider butadiene, H2C=CHCH=CH2, which has four pi electrons. Although butadiene, like all polyenes, is not a linear molecule, we will assume for simplicity that the pi electrons in butadiene move along line who length can be estimated as equal to two C=C bond lengths (2 x 135pm) plus one C-C bond (154pm) plus the distance of a carbon atom radius at each end (2 x 77pm = 154pm), giving a total distance of 578pm. According to equation E = h^2 n^2 /(8m a^2), where n=1,2...

But the Pauli Exclusion Principle says that each of these states can hold only two electrons and so the four pi electrons fill the first two levels. The energy of the first excited state of this system of four pi electrons is that which has one electron elevated to the n=3 state and the energy to make a transition from n=2 state to the n=3 state is Delta E = h^2 (3^2 - 2^2) /(8m a^2)."

My first question is how did they calculate the four pi electrons in the first place? Also, how did they know that the electron elevated from n=2 state to the n=3 state?

Hopefully someone could help me with my question. I'm stuck here reading the book and I can't move on...:cry: Thanks in advance!
 
Physics news on Phys.org
pi orbitals have 3-fold degeneracy, px, py and pz. Thus 4 electrons will fill these orbitals, none being the same state.
 

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