- #1
physgirl
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Huckel approximation--pi-energy
So in this question, I already found the solution to the matrix representing pi eletrons in naphthalene and solved for the energy levels, using a math program. I did get 10 values of x (where x is (alpha-E)/beta), which was what I was expecting, since naph has 10 carbons and 10x10 matrix was solved... but some of the values for x was a complex number (like x=1.6+0.17i, for instance)... so when I'm filling in the energy levels, would I count those imaginary values as energy levels?
I didn't initially, because it seemed weird to put electrons into imaginary energy levels but then when I was trying to calculate the energy value for delocalized pi electrons, I ended up with a positive value of energy, which didn't make sense to me since naphthalene is a conjugated molecule and should have a negative stabilizing energy... but then when I did fill in the imaginary energy levels, I -did- get a negative value for delocalization energy...
Can anyone explain to me why this is?
And let me know if that question just now didn't make sense...
Homework Statement
So in this question, I already found the solution to the matrix representing pi eletrons in naphthalene and solved for the energy levels, using a math program. I did get 10 values of x (where x is (alpha-E)/beta), which was what I was expecting, since naph has 10 carbons and 10x10 matrix was solved... but some of the values for x was a complex number (like x=1.6+0.17i, for instance)... so when I'm filling in the energy levels, would I count those imaginary values as energy levels?
I didn't initially, because it seemed weird to put electrons into imaginary energy levels but then when I was trying to calculate the energy value for delocalized pi electrons, I ended up with a positive value of energy, which didn't make sense to me since naphthalene is a conjugated molecule and should have a negative stabilizing energy... but then when I did fill in the imaginary energy levels, I -did- get a negative value for delocalization energy...
Can anyone explain to me why this is?
And let me know if that question just now didn't make sense...