Ca²⁺ Stabilized by Carborate Anions: Synthesis, Structure, and Reactivity.

ABSTRACT: The syntheses of calcium carborates, Ca[HexCB₁₁Cl₁₁]₂, 1, Ca[HCB₁₁Cl₁₁]₂, 2, and Ca[MeCB₁₁Cl₁₁]₂·2(o-DFB), 3·2(o-DFB), (o-DFB = 1,2-difluorobenzene) including the structure of 2·4(o-DFB) are described. The large size of the Ca²⁺ cation is reflected by the coordination geometry with the Ca center being coordinated by three Cl donors from each of the carborate anions and one F donor from each of the two coordinated solvent molecules. Based on ¹¹B NMR and DOSY NMR studies, the salts 1, 2 and 2·2(o-DFB) form close ion pairs in PhBr and o-DFB solutions. The Fluoride Ion Affinities (FIA) in PhBr for the salts 1 and 2·2(o-DFB) were DFT-calculated (ωB97XD/6-31 + G**) at 211.3 kJ

SUBMITTER: Munshi S 

PROVIDER: S-EPMC12284614 | biostudies-literature | 2025 Jul

REPOSITORIES: biostudies-literature