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Energy Barriers to Internal Rotation: Hyperconjugation and Electrostatic Description

✍ Scribed by Sadlej-Sosnowska, Nina


Book ID
126211451
Publisher
American Chemical Society
Year
2003
Tongue
English
Weight
90 KB
Volume
107
Category
Article
ISSN
1089-5639

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## Abstract The electronic states and barriers to internal rotation in allene (**1a**), 1‐silaallene (**2a**), and 2‐silaallene (**3a**) are investigated computationally using __ab__‐__initio__ molecular orbital methods. Planar geometries with two‐, three‐, and four‐π‐electron configurations have b