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Conformational analysis of 2-chloro-2-fluoroacetaldehyde and calculated transition state structures of nucleophilic addition reactions.

✍ Scribed by G. Frenking; K.F. Köhler; M.T. Reetz


Publisher
Elsevier Science
Year
1994
Tongue
French
Weight
429 KB
Volume
50
Category
Article
ISSN
0040-4020

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✍ G Frenking; K.F Köhler; M.T Reetz 📂 Article 📅 1991 🏛 Elsevier Science 🌐 French ⚖ 773 KB

Summarv : The transition state structures for addition of LiH to 1, 2, and 3 are computed and analyzed at MP2/6-3lG(d)//HF/6\_3lG(d). Three factors are found to be important for the relative energies of the transition state structures: (i) the conformational energy of the aldehyde; (ii) the interac