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The synthesis of a series of 1,2-diamino-o-carboranes (1-4) is reported. The molecular structures of these diamino-o-carboranes are remarkable as the inner-cluster C-C bonds are all ultra-long (162.7-193.1???pm) and vary substantially with small variations in the substituents. The results of quantum mechanical investigations suggest that the origin of the bond elongation is significant in-plane negative hyperconjugation of lone pairs of the nitrogen substituents with the ??* orbitals of the C-C bonds in o-carboranes.

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Li, J.; Pang, R.; Li, Z.; Lai, G.; Xiao, X.-Q.; Mller, T., Angew. Chem. Int. Ed. 2019, 58, 1397-1401Contributed by Steven BacharachReposted from Computational Organic Chemistry with permissionChemists are constantly checking the limits of theories, and the...
Chemists are constantly checking the limits of theories, and the limits of bonding is one that has been subject to many tests of late. I have posted on two recent papers (here, here) that probe just how long a C-C bond can be, and now Li, Miller, and co-workers...