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Theoretical Study of the Effect of Lewis Acids on Dihydrogen Elimination from Niobocene Trihydrides

✍ Scribed by Santiago Camanyes; Feliu Maseras; Miquel Moreno; Agustí Lledós; José M. Lluch; Juan Bertrán


Publisher
John Wiley and Sons
Year
1999
Tongue
English
Weight
126 KB
Volume
5
Category
Article
ISSN
0947-6539

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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