A. Determine the symmetries of the four piorbitals of methylenecyclopropene andwrite the most general pi wave functions.which possess these symmetriesB. Set up the secular determinant derivedfrom Huckel theory for this moleculeC. The roots of the secular energy diagramfor this molecule are X = -2.170, -0.311,+1.00, and +1.481. Draw an energy leveldiagram for this molecule and determine the.delocalization energy of the neutral speciesD. The wave function for the lowest pi MO ispisia = 0.278p1 + 0.612p2 + 0.524p3 +0.524p4. Using Huckel approximation theory,determine the energy of this orbital in terms5 .of alpha and betaThe structure of methylenecydaprapencis shena hedom:

The objective of this question is to show the symmetry and Huckel model of the four pi orbitals of…

A. Determine the symmetries of the four pi orbitals of methylenecyclopropene and write the most general pi wave functions which possess these symmetries B. Set up the secular determinant derived from Huckel theory for this molecule C. The roots of the secular energy diagram for this molecule are X = -2.170, -0.311, +1.00, and +1.481. Draw an energy level iagram for this molecule and determine the delocalization energy of the neutral species . The wave function for the lowest pi MO is pisia = 0.278p1 +0.612p2 +0.524p3 + 524p4. Using Huckel approximation theory, determine the energy of this orbital in terms Dof alpha and beta CLS (5)

A. Determine the symmetries of the four pi orbitals of methylenecyclopropene and write the most general pi wave functions which possess these symmetries B. Set up the secular determinant derived from Huckel theory for this molecule C. The roots of the secular energy diagram for this molecule are X = -2.170, -0.311, +1.00, and +1.481. Draw an energy level iagram for this molecule and determine the delocalization energy of the neutral species . The wave function for the lowest pi MO is pisia = 0.278p1 +0.612p2 +0.524p3 + 524p4. Using Huckel approximation theory, determine the energy of this orbital in terms Dof alpha and beta CLS (5)

Physical Chemistry

2nd Edition

ISBN:9781133958437

Author:Ball, David W. (david Warren), BAER, Tomas

Publisher:Ball, David W. (david Warren), BAER, Tomas

Chapter13: Introduction To Symmetry In Quantum Mechanics

Section: Chapter Questions

Problem 13.21E

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