Theoretical studies on the elimination o
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Xiao-Yuan Fu; Qing-Ming Li; De-Cai Fang
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Article
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1996
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John Wiley and Sons
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English
⚖ 288 KB
👁 2 views
The reaction mechanism of the a, a and a, /3 elimination of hydrogen fluorides from alkyl fluorides has been studied theoretically. For fluoroethane as a reactant, the transition state (1s) optimized at the level of the 6-31~\*\* basis set shows that the Q, /3 elimination proceeds via a four membere