Sunday, August 25, 2013

ORGANIC CHEMISTRY - CHAPTER 14: DELOCALIZED Pi SYSTEMS

Important Concepts

1. The 2-propenyl (allyl) system is stabilized by resonance. Its molecular-orbital description shows the presence of three pmolecular levels: one bonding, one nonbonding, and one antibonding. Its structure is symmetric, any charges or odd electrons being equally distributed between the two 
end carbons.
2. The chemistry of the 2-propenyl (allyl) cation is subject to both thermodynamic and kinetic control. Nucleophilic trapping may occur more rapidly at an internal carbon that bears relatively more positive charge, giving the thermodynamically less stable product. The kinetic product 
may rearrange to its thermodynamic isomer by dissociation followed by eventual thermodynamic trapping.
3. The stability of allylic radicals allows radical halogenations of alkenes at the allylic position.
4. The SN2 reaction of allylic halides is accelerated by orbital overlap in the transition state.
5. The special stability of allylic anions allows allylic deprotonation by a strong base, such as butyllithium – TMEDA.
6. 1,3-Dienes reveal the effects of conjugation by their relative stability (compared to nonconjugated systems) and a relatively short internal bond (1.47 Å).
7. Electrophilic attack on 1,3-dienes leads to the preferential formation of allylic cations.
8. Extended conjugated systems are reactive because they have many sites for attack and the resulting intermediates are stabilized by resonance.
9. Benzene has special stability because of cyclic delocalization.
10. The Diels-Alder reaction is a concerted stereospecific cycloaddition reaction of an s-cis diene to a dienophile; it leads to cyclohexene derivatives. It follows the endo rule.
11. Conjugated dienes and trienes equilibrate with their respective cyclic isomers by concerted and stereospecific electrocyclic reactions.
12. Polymerization of 1,3-dienes results in 1,2- or 1,4-additions to give polymers that are capable of further cross-linking. Synthetic rubbers can be synthesized in this way. Natural rubber is made by electrophilic carbon – carbon bond formation involving biosynthetic five-carbon cations derived 
from 3-methyl-3-butenyl pyrophosphate.
13. Ultraviolet and visible spectroscopy gives a way of estimating the extent of conjugation in a molecule. Peaks in electronic spectra are usually broad and are reported as λmax (nm). Their relative intensities are given by the molar absorptivity (extinction coefficient) ɛ.

From "Organic Chemistry" Textbook of VOLLHARDT & SCHORE


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