Abstract
The concerted cycloaddition of ethylene and cyclopentadiene has been found with full geometry optimization and the STO-3G basis set to be synchronous with E a =35 kcal/mol, while the previously reported, partially optimized, concerted cycloaddition of butadiene and ethylene has been found to have a tendency towards asynchronism due to the nonsymmetrical structure of its transition state; this is due to the two conformations of the cyclohexene product, which also have been optimized, with the boat form being a transition state structure 5.3 kcal/mol above the half-chair structure.
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