Conditions and Edges for the Photochemical Generation of Short-Lived Aryl Cations: A Computational Approach
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http://www.thieme-connect.com/DOI/DOI?10.1055/s-0034-1379945
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资源简介：
A DFT investigation on the conditions required for the photochemical generation of triplet aryl cations from differently para-substituted aryl halides has been carried out. The results showed a correlation between the energy change associated with the Ar–X bond heterolytic cleavage and the substituent Hammett–Brown constant (σp
+). The method provides a means to predict the viability of the ArSN1 photosubstitution reaction.
提供机构：
© Georg Thieme Verlag
创建时间：
2015-04-22
