title: The nature of the chlorination reaction in [1-C6H5-1-CB9H9]- boron clusters.
abstract: 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.
authors.affiliation: Institut de Ciència de Materials de Barcelona, Campus U.A.B., 08193, Bellaterra, Spain.
authors.forename: Pau
authors.initials: P
authors.lastname: Farràs
authors.forename: Clara
authors.initials: C
authors.lastname: Viñas
authors.forename: Reijo
authors.initials: R
authors.lastname: Sillanpää
authors.forename: Francesc
authors.initials: F
authors.lastname: Teixidor
authors.forename: Milagros
authors.initials: M
authors.lastname: Rey