The regiospecific dimerization of methacrolein takes place through a very asynchronous and symmetrical transition structure, which shows a merging of the 4+2 and 2+4 cycloaddition paths. The geometrical features of the transition structures correspond well to a case of diradical formation. A cage of secondary orbital interactions restricts the flexibility of the diradical transition structure and stabilizes it.
Merging of 4+2 and 2+4 cycloaddition paths in the regiospecific dimerization of methacrolein. A case of concerted crypto-diradical cycloaddition
TOMA, LUCIO;ROMANO, SILVANO;QUADRELLI, PAOLO;CARAMELLA, PIERLUIGI
2001-01-01
Abstract
The regiospecific dimerization of methacrolein takes place through a very asynchronous and symmetrical transition structure, which shows a merging of the 4+2 and 2+4 cycloaddition paths. The geometrical features of the transition structures correspond well to a case of diradical formation. A cage of secondary orbital interactions restricts the flexibility of the diradical transition structure and stabilizes it.File in questo prodotto:
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