6533b828fe1ef96bd12883f7
RESEARCH PRODUCT
The nature of the chlorination reaction in [1-C6H5-1-CB9H9]- boron clusters.
Reijo SillanpääPau FarràsFrancesc TeixidorClara ViñasMilagros Reysubject
Inorganic ChemistryRadical substitutionComputational chemistryChemistryInorganic chemistryMixing (process engineering)CarboraneSubstrate (chemistry)Boron clustersdescription
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.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2010-07-29 | Dalton transactions (Cambridge, England : 2003) |