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Endohedral chemistry: electronic structures of molecules trapped inside the C60 cage

โœ Scribed by Cioslowski, Jerzy


Book ID
124090154
Publisher
American Chemical Society
Year
1991
Tongue
English
Weight
364 KB
Volume
113
Category
Article
ISSN
0002-7863

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Electronic structures of the icosahedral
โœ Jerzy Cioslowski ๐Ÿ“‚ Article ๐Ÿ“… 1991 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 411 KB

Electronic structures of the icosahedral C&H,,, hydrocarbon and its perfhroro analog, C6nF6,,, are examined at the HF/4-31G and HF/6-3 lG\*\* levels. The calculated C-C bond lengths are as large as 1.57 A in C63Hb0 and 1.63 A in CbDF60. The bond lengthening is attributed to the H-H and F-F steric in