Carba-Closo-Dodecaborates – Anions with manifold opportunities
Alexander Hepp,† René Labbow,‡ Fabian Reiß,§ Axel Schulz,*‡§ and Alexander Villinger‡
† Institut für Anorganische und Allgemeine Chemie, Universität Münster, Correnstraße 28−30, 48149 Münster, Germany
‡ Institut für Chemie, Abteilung Anorganische Chemie, Universität Rostock, Albert-Einstein- Straße 3a, 18059, Rostock, Germany
§ Leibniz-Institut für Katalyse e.V. an der Universität Rostock, Albert-Einstein-Straße 29a, 18059 Rostock, Germany
*rene.labbow@uni-rostock.de, axel.schulz@uni-rostock.de
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).
Figure 1: A = C, B; X=Y= H, F, Cl, Br, I.
Moreover we report a full spectrum of experimental and theoretical coherences between different borate anions with the structure types [CHB11H11-nXn]− 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. // DOI: 10.1021/ic980110v
[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. // DOI: 10.1021/ja00092a076
[3] S. G. Lias, J. F. Liebman, R. D. Levin, J. Phys. Chem. Ref. Data 1984, 13, 695-808. DOI: 10.1063/1.555719
