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Direct Evaluation of the Hyperconjugative Interactions in 1,1,1-Trihaloethane (CH 3 CX 3 , X = F, Cl, and Br)

✍ Scribed by Chen, Zhenhua; Corminboeuf, Clémence; Mo, Yirong

Book ID
121218630
Publisher
American Chemical Society
Year
2013
Tongue
English
Weight
365 KB
Volume
118
Category
Article
ISSN
1089-5639

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✍ Rubén H. Contreras; Angel L. Esteban; Ernesto Díez; Ernest W. Della; Ian J. Loch 📂 Article 📅 2004 🏛 John Wiley and Sons 🌐 English ⚖ 115 KB

(13)C chemical shifts were measured for 18 1-X,3-CH(3)-bicyclo[1.1.1]pentanes and the corresponding (13)C substituent chemical shifts (SCSs) were compared with those measured previously for the corresponding 1-X-bicyclo[1.1.1]pentanes. DFT-B3LYP calculations of GIAO magnetic shielding constants and