Abstract
The globular-shaped icosahedral carboranes, o-, m-, and p-C 2B 10H 12, yield high-resolution 11B and 13C MAS solid-state NMR spectra. Chemical shifts and linewidths are comparable to those of solution spectra. Spin—lattice relaxation times indicate the quadrupolar mechanism to be dominant for the B-11 relaxation. Linewidths of spectra recorded at 96 MHz and 64 MHz were similar. At 298 K, the 13C T 1 of p-carborane was found to be an order of magnitude smaller than those of the other two isomers. This can be attributed to the higher phase transition temperature of p-carborane indicative of the stronger intermolecular dipolar CH interactions made possible by the para-carbon vertices. Substitution on o-carborane by a methyl group yields spectra of comparable linewidths to those of the parent compound. Substitution by a bulkier phenyl group, however, results in extensive broadening of both 11B and 13C signals of the derivative 1-Ph- o-C 2B 10H 11.
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