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Updated: Jul 21, 2026

Microwave-assisted One-pot Synthesis of N-succinimidyl-4-[18F]fluorobenzoate ([18F]SFB)
08:33

Microwave-assisted One-pot Synthesis of N-succinimidyl-4-[18F]fluorobenzoate ([18F]SFB)

Published on: June 28, 2011

フッ素エタンとフッ素イオン間のE2反応の最小自由エネルギー反応経路

Bernd Ensing1, Alessandro Laio, Francesco L Gervasio

  • 1Center for Molecular Modeling and Department of Chemistry, University of Pennsylvania, 231 South 34th Street, Philadelphia, Pennsylvania 19104-6323, USA. ensing@cmm.upenn.edu

Journal of the American Chemical Society
|August 5, 2004
PubMed
まとめ

この研究では,二核除去 (E2) 反応機構を正確にモデル化するための新しい計算方法が導入されています. 発見は,反応障壁と内熱性に影響を与える,些細でないエントロピー的貢献を明らかにしています.

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Here, in contrast to the E2 reaction mechanism, we delve into the aspects of the E1 reaction mechanism, which has two steps: rate-limiting loss of the leaving group and abstraction of the beta hydrogen by a weak base. Typically, the experimental proof for the E1 mechanism is via kinetic studies or isotope studies. While the former demonstrates the first-order kinetics—the dependence of the reaction solely on substrate concentration—the latter proves the abstraction of hydrogen only in the...
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