1.For the molecules hexatriene (A) and cyclopentadienyl radical(B) shown below, use the Hückel approximation to obtain the following:(a) Secular determinant(b) Energy levels(c) Molecular orbitals(d) Delocalization energy(A)(B)

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1. (B) shown below, use the Hückel approximation to obtain the following: For the molecules hexatriene (A) and cyclopentadienyl radical (a) Secular determinant (b) Energy levels (c) Molecular orbitals (d) Delocalization energy (A) (B)

1. (B) shown below, use the Hückel approximation to obtain the following: For the molecules hexatriene (A) and cyclopentadienyl radical (a) Secular determinant (b) Energy levels (c) Molecular orbitals (d) Delocalization energy (A) (B)

Principles of Modern Chemistry

8th Edition

ISBN:9781305079113

Author:David W. Oxtoby, H. Pat Gillis, Laurie J. Butler

Publisher:David W. Oxtoby, H. Pat Gillis, Laurie J. Butler

Chapter20: Molecular Spectroscopy And Photochemistry

Section: Chapter Questions

Problem 35P

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Question

1.
For the molecules hexatriene (A) and cyclopentadienyl radical
(B) shown below, use the Hückel approximation to obtain the following:
(a) Secular determinant
(b) Energy levels
(c) Molecular orbitals
(d) Delocalization energy
(A)
(B)

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Step 1: Introduction to Huckel approximation

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Step 2: Calculating the secular determinant

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Step 3: Calculation of energy levels

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Step 4: Molecular orbitals

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