The importance of chain conformational mobility during 5-exo-cyclizations of C-, N- and O-centred radicals
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Date
28/10/2014Author
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Grant ID
EP/I003479/1
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Show full item recordAbstract
The reaction coordinates of an archetypical set of 5-exo cyclizations of C-, N- and O-centred radicals were investigated by computational methods. G4 theory, and DFT with the um062x functional, were able to rationalise counterintuitive factors such as the 'normal' order of rate constants being: N-centred
Citation
Walton , J C 2014 , ' The importance of chain conformational mobility during 5-exo-cyclizations of C-, N- and O-centred radicals ' , Organic & Biomolecular Chemistry , vol. 12 , no. 40 , pp. 7983-7992 . https://doi.org/10.1039/c4ob01419g
Publication
Organic & Biomolecular Chemistry
Status
Peer reviewed
ISSN
1477-0520Type
Journal article
Description
The author thanks the EPSRC (grant EP/I003479/1) and EaStCHEM for funding.Collections
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