Search results for "Boron clusters"

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Water Structure Recovery in Chaotropic Anion Recognition: High-Affinity Binding of Dodecaborate Clusters to γ-Cyclodextrin

2015

Dodecaborate anions of the type B12X12(2-) and B12X11Y(2-) (X=H, Cl, Br, I and Y=OH, SH, NH3(+), NR3(+)) form strong (K(a) up to 10(6) L mol(-1), for B12Br12(2-)) inclusion complexes with γ-cyclodextrin (γ-CD). The micromolar affinities reached are the highest known for this native CD. The complexation exhibits highly negative enthalpies (up to -25 kcal mol(-1)) and entropies (TΔS up to -18.4 kcal mol(-1), both for B12I12(2-)), which position these guests at the bottom end of the well-known enthalpy-entropy correlation for CDs. The high driving force can be traced back to a chaotropic effect, according to which chaotropic anions have an intrinsic affinity to hydrophobic cavities in aqueous …

AnionsBoron CompoundsModels MolecularHofmeister seriesInorganic chemistrySupramolecular chemistrysyklodekstriinithost–guest complexes010402 general chemistry01 natural sciencessupramolecular chemistryCatalysissupramolekulaarinen kemiaMoleculeBinding siteta116Binding SitescyclodextrinsAqueous solutionMolecular Structure010405 organic chemistryChemistryDodecaborateWaterBorclusterGeneral MedicineGeneral ChemistryAffinitiesCommunicationsboron clusters0104 chemical sciencesCrystallographyChaotropic agentThermodynamicsgamma-CyclodextrinsHofmeister seriesAngewandte Chemie International Edition
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The nature of the chlorination reaction in [1-C6H5-1-CB9H9]- boron clusters.

2010

Preferential chlorination sites resulting from sequential radical substitution reactions in carborane anions have been studied combining experimental and computational methods. Results have been obtained experimentally by mixing the substrate with incremental ratios of N-chlorosuccinimide and analysing the resulting samples by negative MALDI-TOF-MS. The theoretical results have been obtained calculating the 2a-NPA charges on the starting material and computing the most energetically favourable reaction pathway.

Inorganic ChemistryRadical substitutionComputational chemistryChemistryInorganic chemistryMixing (process engineering)CarboraneSubstrate (chemistry)Boron clustersDalton transactions (Cambridge, England : 2003)
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