Exploring Frontier Orbital Theory: The HOMO to LUMO Orbitals of 1,3 Butadiene

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    Orbital Theory
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Discussion Overview

The discussion revolves around the frontier orbital theory as applied to 1,3 butadiene, specifically examining the relationship between the resonance structures and the HOMO-LUMO orbitals. Participants explore the implications of having four resonance structures and their correlation with the four molecular orbitals.

Discussion Character

  • Exploratory, Technical explanation, Conceptual clarification

Main Points Raised

  • One participant notes the existence of four resonance structures for 1,3 butadiene and questions whether there is a meaningful connection to the four alignments in the HOMO-LUMO chart.
  • Another participant asserts that the formation of butadiene involves the interaction of four atomic orbitals, suggesting that this necessitates the existence of four molecular orbitals.
  • Additional participants provide visual aids in the form of charts to support their points regarding the orbital theory.

Areas of Agreement / Disagreement

Participants express varying interpretations of the relationship between resonance structures and molecular orbitals, with no consensus reached on whether the similarity is significant or coincidental.

Contextual Notes

The discussion does not clarify the stability of the resonance structures or the specific characteristics of the molecular orbitals, leaving these aspects unresolved.

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While studying the structure of 1,3 butadiene and considering frontier orbital theory, I came across a graph of the HOMO to LUMO orbitals.

orbitals_4p.png


Basically put, when I draw out all the res structures for 1,3 butadiene, i can make 4 of them (i know that 2 of them are very unstable and 1 of them is very very very unstable).

Is there a similarity here or is it just dumb luck that there are 4 of each (4 res structures and 4 alignments in the homo/lumo chart.)

Thanks
 
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Also here are some more charts to look at.

butadiene_LUMO_1.png


butadiene_LUMO.png


butadiene_HOMO.png
 
and the last one (limit of 3 pics per post)

butadiene_HOMO_1.png
 
u must have 4 of theme, butadiene formation required interaction of 4 atomic orbitals so sure u must have 4 molecular orbitals that u draw !
 

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