For monocyclic conjugated polyenes (such as cyclobutadiene and benzene) with each of N

Physical Chemistry | 8th Edition | ISBN: 9780716787594 | Authors: Peter Atkins, Julio de Paula

Problem 11.16 Chapter 11

Physical Chemistry | 8th Edition

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Physical Chemistry | 8th Edition | ISBN: 9780716787594 | Authors: Peter Atkins, Julio de Paula

Physical Chemistry | 8th Edition

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Problem 11.16

For monocyclic conjugated polyenes (such as cyclobutadiene and benzene) with each of N carbon atoms contributing an electron in a 2p orbital, simple Hckel theory gives the following expression for the energies Ek of the resulting molecular orbitals: Ek = + 2 cos k = 0, 1, 2, . . . , N/2 (even N) k = 0, 1, 2, . . . , (N 1)/2 (odd N) (a) Calculate the energies of the molecular orbitals of benzene and cyclooctatetraene. Comment on the presence or absence of degenerate energy levels. (b) Calculate and compare the delocalization energies of benzene (using the expression above) and hexatriene (see 11.15a). What do you conclude from your results? (c) Calculate and compare the delocalization energies of cyclooctaene and octatetraene. Are your conclusions for this pair of molecules the same as for the pair of molecules investigated in part (b)?

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Chemistry 111 M/W 3:30-4:45 Professor Lake Week of 1/19/16 1) Elements vs. Compounds a. Element: smallest part of matter; cannot be changed or broken down b. Compound: combination of two or more different elements c. Examples i. CO 2compound ii. Hg element iii. C4 compound iv. Fe element 2)...

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Chapter 11, Problem 11.16 is Solved
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Textbook: Physical Chemistry
Edition: 8
Author: Peter Atkins, Julio de Paula
ISBN: 9780716787594

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For monocyclic conjugated polyenes (such as cyclobutadiene and benzene) with each of N

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