Organic Chemistry
Organic Chemistry
9th Edition
ISBN: 9781305080485
Author: John E. McMurry
Publisher: Cengage Learning
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Chapter 30.1, Problem 1P
Interpretation Introduction

Interpretation:

HOMO and LUMO of ethylene and 1,3-butadiene for both ground and excited states.

Concept introduction:

The most important orbitals in molecules for reactivity are the two so called frontier orbitals. These are called the HOMO (highest occupied molecular orbital and LUMO (lowest unoccupied molecular orbital). The HOMO is the highest energy MO that has any electrons in it. Electrons from the HOMO are donated and mostly available for bonding. The LUMO is the next highest energy orbital (it will be empty). It is the lowest unoccupied molecular orbital which can receives electrons.

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5) Give a representation of the highest occupied л MO of 1,3-butadiene in its ground state
• Q: Calculate the wavelength of the radiation that will be absorbed in promoting an electron from the HOMO to the LUMO in butadiene.
The longest wavelength electronic transition in simple unsaturated hydrocarbons corresponds to a transition from the highest occupied molecular orbita l (HOMO) to the lowest unoccupied molecular orbita l (LUMO) . Predict the energy of the HOMO to LUMO separation in (a) ethane. (b) butadiene. and (c) benzene.
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