Organic Chemistry
Organic Chemistry
12th Edition
ISBN: 9781118875766
Author: T. W. Graham Solomons, Craig B. Fryhle, Scott A. Snyder
Publisher: WILEY
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Chapter 14, Problem 43P

Draw all of the π molecular orbitals for (3E)-1,3,5-hexatriene, order them from lowest to highest in energy, and indicate the number of electrons that would be found in each in the ground state for the molecule. After doing so, open the computer molecular model for (3E)-1,3,5-hexatriene and display the calculated molecular orbitals. How well does the appearance and sequence of the orbitals you drew (e.g., number of nodes, overall symmetry of each, etc.) compare with the orbitals in the calculated model? Are the same orbitals populated with electrons in your analysis as in the calculated model?

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