𝔖 Bobbio Scriptorium
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On the coordination chemistry of corannulene, the smallest “buckybowl”

✍ Scribed by Michael W. Stoddart; John H. Brownie; Michael C. Baird; Hartmut L. Schmider

Book ID
108188063
Publisher
Elsevier Science
Year
2005
Tongue
English
Weight
263 KB
Volume
690
Category
Article
ISSN
0022-328X

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Is peri hydrogen repulsion responsible f
Is peri hydrogen repulsion responsible for flattening buckybowls? The effect of ring annelation to the rim of corannulene
✍ T.C Dinadayalane; S Deepa; G.Narahari Sastry 📂 Article 📅 2003 🏛 Elsevier Science 🌐 French ⚖ 124 KB

B3LYP/6-31G\* calculations indicate that annelation of three-, four-, or five-membered rings to the rim of corannulene results in lowering the bowl-to-bowl inversion barrier and flattens the bowl structure. The role of the peri hydrogen repulsion as a causative factor for such a behavior is disputed