Carba-​closo-dodecaborates - Anions with manifold opportunities

A full set of analytical data of salts ([Me3NH]+-, Cs+- and Ag+) bearing the nido-[B11H14]−, closo-[CHB11H11]− anion and its chlorinated congener [CHB11Cl11]− is reported. Theoretical and experimental correlations... [ view full abstract ]

A full set of analytical data of salts ([Me₃NH]⁺-, Cs⁺- and Ag⁺) bearing the nido-[B₁₁H₁₄]⁻, closo-[CHB₁₁H₁₁]⁻ anion and its chlorinated congener [CHB₁₁Cl₁₁]⁻ is reported. Theoretical and experimental correlations between these different anions are discussed, For example a direct correlation between calculated NICS^[1,2] values, gas phase acidities^[3] and experimentally detected ¹³C NMR shifts was observed (Figure 1).

Moreover we report a full spectrum of experimental and theoretical coherences between different borate anions with the structure types [CHB₁₁H_11-nX_n]⁻ and [B₁₂X₁₂]²⁻ with X = H, F, Cl, Br, I, CH₃, CF₃ and n = 6, 11.

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References:

[1] P. von Ragué Schleyer, K. Najafian, Inorg. Chem. 1998, 37, 3454–3470.

[2] M. Bühl, W. Thiel, H. Jiao, P. von Ragué Schleyer, M. Saunders, F. A. L. Anet, J. Am. Chem. Soc. 1994, 116, 6005–6006.

[3] S. G. Lias, J. F. Liebman, R. D. Levin, J. Phys. Chem. Ref. Data 1984, 13, 695-808.