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Retrosynthetic Analysis of Fullerene C 60 : Structure, Stereochemistry, and Calculated Stability of C 30 Fragments

✍ Scribed by Geneste, Florence; Moradpour, Alec; Dive, Georges; Peeters, Daniel; Malthête, Jacques; Sadoc, Jean-François

Book ID
126286213
Publisher
American Chemical Society
Year
2002
Tongue
English
Weight
53 KB
Volume
67
Category
Article
ISSN
0022-3263

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✍ Jan Hrušák; Helmut Schwarz 📂 Article 📅 1993 🏛 Elsevier Science 🌐 English ⚖ 365 KB

Ab initio SCF calculations have been performed to determine the equilibrium geometry of the doubly charged firllerene, Cg . A significant Jahn-Teller distortion is found to be operative. The adiabatic double-ionization energy for the process C&I,) +Cg (DM) is calculated to be IE,,= 18.9 eV, this nu