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Comments on “geometrical changes during the internal rotation in ethane”

✍ Scribed by A. Veillard

Publisher
Elsevier Science
Year
1969
Tongue
English
Weight
170 KB
Volume
3
Category
Article
ISSN
0009-2614

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✦ Synopsis

In an article by H. J. Monkhorst in a previous issue of this journal it is stated that the predominant geometrical change during the internal rotation in ethane is a stretching of the CC bond and that the rotation barrier presumah!y originates from the central bond only. These statements appear either erroneous or at variance with the findings of other authors.

📜 SIMILAR VOLUMES

Distortional effects on the ethane inter
Distortional effects on the ethane internal rotation barrier and rotation barriers in borazane and methylsilane
✍ A. Veillard 📂 Article 📅 1969 🏛 Elsevier Science 🌐 English ⚖ 326 KB

Receised 7 February -969 Distortional effects on the barrier to L?p?nal rotation of ethane x-e investigated through ab tnttto calculations. yielding a theoretical barrier of 3.071 kcal/mole (experimental 2.928 kcal/mole). The com-Lwted barrier is 3.064 kcal/moIe ior borazane and 1.44 kcal/mole for m