Please use this identifier to cite or link to this item: http://hdl.handle.net/20.500.12779/5065
Title: Mechanism of the Norrish-Yang Photocyclization Reaction of an Alanine Derivative in the Singlet State: Origin of the Chiral Memory Effect
Authors: Sinicropi, Adalgisa 
Barbosa, F.
Basosi, Riccardo 
Giese, B.
Olivucci, Massimo 
Keywords: ab initio calculations; chiral memory; conical intersections; photocyclization; reaction mechanisms
Issue Date: 2005
Project: None 
Journal: ANGEWANDTE CHEMIE. INTERNATIONAL EDITION
Abstract: 
Remember how it was …? A mechanistic explanation for the chiral-memoryeffect in Norrish­Yang photoreactions has been obtained by computing thereaction pathway (see figure) at the ab initio level. The results show thatboth the ultrafast excited-state decay, which occurs at a conicalintersection (CI), and the specific hydrogen-bonded structure of theprimary diradical intermediate determine the high stereoselectivity of thereaction.
Description: 
36351
URI: http://hdl.handle.net/20.500.12779/5065
ISSN: 1433-7851
DOI: 10.1002/anie.200461898
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