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Topic: Electrocyclic reaction

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	Diels-Alder Reaction
		The [4+2]-cycloaddition of a conjugated diene and a dienophile (an alkene or alkyne), an electrocyclic reaction that involves the 4 π-electrons of the diene and 2 π-electrons of the dienophile.
		There are “inverse demand” Diels Alder Reactions that involve the overlap of the HOMO of the dienophile with the unoccupied MO of the diene.
		This alternative scenario for the reaction is favored by electron-donating groups on the dienophile and an electron-poor diene.
	www.organic-chemistry.org /namedreactions/diels-alder-reaction.shtm (450 words)

	Non-ionic Chemical Reactions
		An electrocyclic reaction is the concerted cyclization of a conjugated π-electron system by converting one π-bond to a ring forming σ-bond.
		This mode of reaction is favored by relief of ring strain, and the reverse ring closure (light blue arrows) is not normally observed.
		Reaction 4 is drawn as a retro ene reaction, although this has not been demonstrated to be general for all reactions of allylic alcohols with thionyl chloride.
	www.cem.msu.edu /~reusch/VirtualText/pericycl.htm (5181 words)

	E
		An "electrophilic substitution reaction" is a heterolytic reaction in which the reagent supplying the entering group acts as an electrophile.
		A reaction for which no reaction intermediates have been detected or need to be postulated in order to describe the chemical reaction on a molecular scale.
		An elementary reaction is assumed to occur in a single step and to pass through a single transition state.
	www.chem.qmul.ac.uk /iupac/gtpoc/E.html (2409 words)

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	Electrocyclic Reaction: Molecular Orbitals in Hexatriene
		One of the simplest examples of electrocyclic reactions is thermal ring closure of (1,3Z,5)-Hexatriene to yield 1,3-cyclohexadiene.
		The stereoselectivity of electrocyclic reactions can be rationalized based on the symmetry of frontier molecular orbitals.
		Sakai and Takane: "Theoretical Studies of the Electrocyclic Reaction Mechanisms of Hexatriene to Cyclohexadiene" Research publication in J.
	www.chem.ucsb.edu /~kalju/chem109C/Electrocyclic.html (283 words)

	Homepage of Patrick S. Lee - CV
		• Implemented electrocyclic reaction of benzocyclobutene and o-xylylene in design of a molecular device via computational methods.
		Lee, M. Bartberger, K. Houk A Standard Set of Pericyclic Reactions of Hydrocarbons for the Benchmarking of Computatinoal Methods: The Performance of ab inito, density functional, CASSCF, CASPT2, and CBS-QB3 Methods for the Prediction of Activation Barriers, Reaction Energetics, and Transition State Geometries.
		Lee, S. Sakai, P. Hörstermann, W. Roth, E. Kallel, K. Houk Altering the Allowed/Forbidden Gap in Cyclobutene Electrocyclic Reactions: Experimental and Theoretical Evaluations of the Effect of Planarity Constraints.
	zarbi.chem.yale.edu /~pslee/cv.htm (665 words)

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