Heavier group 2 metals and intermolecular hydroamination: a computational and synthetic assessment

A G M Barrett, C Brinkmann, M R Crimmin, Michael S Hill, P Hunt, P A Procopiou

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104 Citations (Scopus)

Abstract

A density functional theory assessment of the use of the group 2 elements Mg, Ca, Sr, and Ba for the intermolecular hydroamination of ethene indicated that the efficiency of the catalysis is dependent upon both the polarity and the deformability of the electron density within the metal-substituent bonds of key intermediates and transition states. The validity of this analysis was supplemented by a preliminary study of the use of group 2 amides for the intermolecular hydroamination of vinyl arenes. Although strontium was found to provide the highest catalytic activity, in line with the expectation provided by the theoretical study, a preliminary kinetic analysis demonstrated that this is possibly a consequence of the increased radius and accessibility of this cation rather than a reflection of a reduced barrier for rate-determining alkene insertion.
Original languageEnglish
Pages (from-to)12906-12907
Number of pages2
JournalJournal of the American Chemical Society
Volume131
Issue number36
Early online date24 Aug 2009
DOIs
Publication statusPublished - 16 Sep 2009

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