Q4: The cyclopropenyl radical has three carbon atoms situated at the corners of an equilateral triangle. Molecular orbitals for the r-electrons can be approximated by linear combinations of the 2p, orbitals of the carbon atoms. Determine the eigenvalues and eigenfunctions for the radical in the Hückel approximation and find the total energy of the three r-electrons for the ground state.

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
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Q4: The cyclopropenyl radical has three carbon atoms situated at the corners of an
equilateral triangle. Molecular orbitals for the r-electrons can be approximated by linear
combinations of the 2p, orbitals of the carbon atoms. Determine the eigenvalues and
eigenfunctions for the radical in the Hückel approximation and find the total energy of
the three T-electrons for the ground state.
Transcribed Image Text:Q4: The cyclopropenyl radical has three carbon atoms situated at the corners of an equilateral triangle. Molecular orbitals for the r-electrons can be approximated by linear combinations of the 2p, orbitals of the carbon atoms. Determine the eigenvalues and eigenfunctions for the radical in the Hückel approximation and find the total energy of the three T-electrons for the ground state.
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