1. Using Huckel model write down the Hamiltonian matrix for butadiene. Show that wavefunctions with coefficients (-0.602,-0.372,0.372,0.602) and (0.372,0.602,0.602,0.372) are eigenfunctions and determine the corresponding eigenvalues 2. For linear alternating hydrocarbons B(Beta)=-2.4 eV. Using the Huckel model determine the difference in energy between

Principles of Instrumental Analysis
7th Edition
ISBN:9781305577213
Author:Douglas A. Skoog, F. James Holler, Stanley R. Crouch
Publisher:Douglas A. Skoog, F. James Holler, Stanley R. Crouch
Chapter7: Components Of Optical Instruments
Section: Chapter Questions
Problem 7.9QAP
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1. Using Huckel model write down the
Hamiltonian matrix for butadiene. Show that
wavefunctions with coefficients
(-0.602,-0.372,0.372,0.602) and
(0.372,0.602,0.602,0.372) are eigenfunctions
and determine the corresponding
eigenvalues
2. For linear alternating hydrocarbons
B(Beta)=-2.4 eV. Using the Huckel model
determine the difference in energy between
the highest occupied and lowest unoccupied
orbitals for linear alternating hydrocarbons
with 10, 20, 50, 100, and 200 carbon atoms.
Transcribed Image Text:1. Using Huckel model write down the Hamiltonian matrix for butadiene. Show that wavefunctions with coefficients (-0.602,-0.372,0.372,0.602) and (0.372,0.602,0.602,0.372) are eigenfunctions and determine the corresponding eigenvalues 2. For linear alternating hydrocarbons B(Beta)=-2.4 eV. Using the Huckel model determine the difference in energy between the highest occupied and lowest unoccupied orbitals for linear alternating hydrocarbons with 10, 20, 50, 100, and 200 carbon atoms.
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