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Carbon−Carbon Rotational Barriers in Butane, 1-Butene, and 1,3-Butadiene

✍ Scribed by Murcko, Mark A.; Castejon, Henry; Wiberg, Kenneth B.

Book ID
118276096
Publisher
American Chemical Society
Year
1996
Tongue
English
Weight
376 KB
Volume
100
Category
Article
ISSN
0022-3654

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📜 SIMILAR VOLUMES

Conformational energies and rotational b
Conformational energies and rotational barriers in 3-methyl-1-butene and 1-butene: An ab initio and molecular mechanics study
✍ Ingrid Pettersson; Klaus Gundertofte 📂 Article 📅 1991 🏛 John Wiley and Sons 🌐 English ⚖ 421 KB

## Abstract The calculated result obtained with MM2(87) for the rotation of the isopropyl group in 3‐methyl‐1‐butene is not in agreement with experimental data. In order to reparametrize the C~__sp__~2‐C~__sp__~3‐C~__sp__~‐C~__sp__~3 torsional angle, 3‐methyl‐1‐butene and 1‐butene have been studied