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- W2058559967 abstract "Abstract The reactivity of n ‐butyllithium ( n ‐BuLi) toward pyridine derivatives (pyridine, pyridazine, pyrimidine, and 1,3,5‐triazine) was subjected to a computational study to determine the most suitable n ‐BuLi/heterocyclic ring system as an initiator for the anionic polymerization of methyl methacrylate (MMA). These systems were suggested to prevent side reactions occurring through n ‐BuLi attack on the carbonyl carbon of MMA by sterically blocking the initiator. The initiation reaction was modeled with the B3LYP methodology 6‐31+G*. Activation barriers were used to analyze the reactivity of each n ‐BuLi/heterocyclic ring system. Computational results showed that n ‐BuLi/triazine had a significantly lower activation barrier. Therefore, n ‐BuLi/triazine was the suggested initiator system for the anionic polymerization of poly(methyl methacrylate). © 2004 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 43: 455–467, 2005" @default.
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- W2058559967 date "2004-12-07" @default.
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- W2058559967 title "Computational study of alkyllithium/pyridine derivative systems as initiators for the living anionic polymerization of methyl methacrylates" @default.
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- W2058559967 doi "https://doi.org/10.1002/pola.20506" @default.
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