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Boratabenzene Anions C5B(CN)6(-) And C5B(CF3)6(-) And The Superacidic Properties Of Their Conjugate Acids.

Agnes Kütt, I. Koppel, I. Koppel, I. Leito
Published 2009 · Chemistry, Medicine

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Designing superacids: A computational study of protonated boratabenzenes and the gas-phase acidity of their conjugate acids is presented. Conjugate acids of boratabenzenes substituted with CN or CF(3) groups (see figure) are highly acidic species; the protonated hexacyanoboratabenzene and hexakis(trifluoromethyl)boratabenzene have computational gas-phase acidities of 250.5 and 276.8 kcal mol(-1), respectively.
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