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3-Bromo-2,5-dihydrofuran-2-one and 4-Bromo-2,5-dihydrofuran-2-one

✍ Scribed by Brecker, Lothar; Kreiser, Wolfgang; Ernst, Ludger; Hopf, Henning

Book ID
115514464
Publisher
UOCHB
Year
1999
Tongue
English
Weight
56 KB
Volume
64
Category
Article
ISSN
0010-0765

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Molecular hydrogen elimination from 2,5-dihydrofuran, 2,3-dihydrofuran, and 2-methyl-2,5-dihydrofuran: Quantum chemical and kinetics calculations
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## Abstract Density Function Theory calculations were carried out to evaluate the potential energy surfaces of H~2~ elimination from 2,5‐dihydrofuran, 2,3‐dihydrofuran, and 2‐methyl‐2,5‐dihydrofuran. The structure and energetics of the reactants, products, and transition states on the surfaces for