Face‐Fusion of Icosahedral Boron Hydride Increases Affinity to γ‐Cyclodextrin: closo,closo‐[B21H18]− as an Anion with Very Low...
Third, the SMD continuum solvation model (employed for the free borate clusters) has not been optimized for large polarizable ... borate clusters or carboranes.25 The same trend applies for the B12H122− cluster, whose association constant with γ-CD is even ... not only borate clusters but also others such as polyoxometalates12-16 or octahedral metal clusters,13, 17 to hydrophobic ... in which the partially negative H atoms of the borate clusters interact with the partially positive H3 and H5 hydrogens of γ-CD ...