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• W2040224314 abstract "Regioselective deuterated nido-[C2B9H12]− ions were obtained from a fluoride ion promoted debor reaction of deuterated closo-1,X-C2B10H12 (X=2, 7) cage compounds. The position(s) of the deuterium atom(s) in the product, as determined by NMR, were consistent with the prior suggestion that a boron neighboring both cage carbons in the starting material is the atom that is removed in this reaction. Ab-initio geometry optimized structures of the nido systems were obtained and compared with available literature structures; and ab-initio/NMR calculated data, as well as FPT-INDO calculational results are compared with the experimental data for the two probable structures previously proposed for the 7,8- isomer of the nido-[C2B9H12]− ion. Additionally, ab-initio/NMR calculations on geometry optimized structures were used to confirm 11B NMR assignments." @default.
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• W2040224314 date "1999-06-01" @default.
• W2040224314 modified "2023-09-24" @default.
• W2040224314 title "Conversion of site-specific deuterated closo-1,2- and 1,7-C2B10H12 to deuterated nido-7,8- and 7,9-[C2B9H12]− ions, respectively; mechanistic inferences. Comparisons of GIAO-NMR generated [C2B9H12]− chemical shifts with experimental values, and consideration of two principal isomers of the 7,8-[C2B9H12]− ion by comparison of geometry optimization data, NMR chemical shift data, and NMR coupling data to respective experimental data" @default.
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• W2040224314 doi "https://doi.org/10.1016/s0020-1693(99)00054-7" @default.
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