Journal article
Heavier group 2 metals and intermolecular hydroamination: a computational and synthetic assessment
Journal of the American Chemical Society, Vol.131(36), pp.12906-12907
09/16/2009
Handle:
https://hdl.handle.net/2376/108878
PMID: 19705841
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.
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Details
- Title
- Heavier group 2 metals and intermolecular hydroamination: a computational and synthetic assessment
- Creators
- Anthony G M Barrett - Department of Chemistry, University of Bath, Claverton Down, Bath BA2 7AY, UKChristine BrinkmannMark R CrimminMichael S HillPatricia HuntPanayiotis A Procopiou
- Publication Details
- Journal of the American Chemical Society, Vol.131(36), pp.12906-12907
- Academic Unit
- Molecular Biosciences, School of
- Publisher
- United States
- Identifiers
- 99900546909101842
- Language
- English
- Resource Type
- Journal article