Proton Nmr Study of the Small Carboranes, 1,5-C2B3H5, CB5H7, 1,2-C2B4H6, 1,6-C2B4H6 and 2,4-C2B5H7.
CALIFORNIA STATE UNIV LOS ANGELES DEPT OF CHEMISTRY
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Boron-11 decoupled proton nuclear magnetic resonance spectra and data are reported for the closo-carboranes 1,5-C2B3H5, CB5H7, 1,2-C2B4H6, 1,6-C2B4H6, and 2,4-C2B5H7. The proton nmr results are in agreement with the assignments for these carboranes and are compatible with previously obtained boron-11 nmr results. Fine structure, attributed to homonuclear long-range coupling, is observed in the decoupled spectrum of each of these closed polyhedral compounds. An estimate of orbital hybridization in C2B3H5 from coupling data indicates that most of the cage-orbital s-character is to be found in the C-B bonds and very little in the B-B bonds. Chemical shift assignments are made. Modified author abstract
- Organic Chemistry
- Atomic and Molecular Physics and Spectroscopy