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Evaluation of the Heats of Formation of Corannulene and C 60 by Means of Inexpensive Theoretical Procedures

โœ Scribed by Dobek, Frank J.; Ranasinghe, Duminda S.; Throssell, Kyle; Petersson, George A.

Book ID
126413842
Publisher
American Chemical Society
Year
2013
Tongue
English
Weight
410 KB
Volume
117
Category
Article
ISSN
1089-5639

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๐Ÿ“œ SIMILAR VOLUMES

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Molecular geometries and heats of formation of C60 and C70 as computed by MM2-87
โœ Mark Froimowitz ๐Ÿ“‚ Article ๐Ÿ“… 1991 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 404 KB

MM2-87 calculations have been performed on Cm (buckminsterfullerene; footballene) and C,, with full energy minimization. The steric energies for C,, and C,, were computed to be 179.9 and 177.9 kcal/mol, respectively. The heats of formation for C,, and C70 were computed to be 519.8 and 582.6 kcal/mol

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Novel anions that contain one molecule each of C, and the polycyclic aromatic hydrocarbon coronene are generated in the gas phase by electron attachment desorption chemical ionization. Collision-induced dissociation reveals that these cluster ions are loosely bonded. Fragmentation of the mass-select