kt E = a +2Bcos- N+1 +}N (even N) k= 0, ±1, ±2, ±3, .. ±글(N-1 (odd N)

Chemistry by OpenStax (2015-05-04)
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Author:Klaus Theopold, Richard H Langley, Paul Flowers, William R. Robinson, Mark Blaser
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Chapter16: Thermodynamics
Section: Chapter Questions
Problem 2E: What is a nonspontaneous reaction?
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For monocyclic conjugated polyenes (such as cyclobutadiene and benzene) with each of N carbon atoms contributing an electron in a 2p orbital, Huckel theory gives the fol lowing expression for the energies Ek of the resulting π molecular orbitals Calculate the energies of the 1t molecular orbitals of benzene and cyclooctatetraene. Comment on the presence
or absence of degenerate energy levels. (b) Ca lcu late and compare the delocalization energies of benzene and hexatriene using the expression from the preceding problem. What do you conclude from your results? (c) Calculate and compare the delocalization energies of cyclooctatetraene
and (linear) octatetraene. Are your conclusions for th is pair of molecules the same as for the pair of molecules investigated in part (b)?

kt
E = a +2Bcos-
N+1
+}N (even N)
k= 0, ±1, ±2, ±3,
..
±글(N-1 (odd N)
Transcribed Image Text:kt E = a +2Bcos- N+1 +}N (even N) k= 0, ±1, ±2, ±3, .. ±글(N-1 (odd N)
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