The nature of the chlorination reaction in [1-C6H 5-1-CB9H9]- boron clusters

Pau Farràs; Clara Viñas; Reijo Sillanpää; Francesc Teixidor; Milagros Rey

doi:10.1039/c0dt00433b

The nature of the chlorination reaction in [1-C₆H ₅-1-CB₉H₉]^- boron clusters

Pau Farràs, Clara Viñas, Reijo Sillanpää, Francesc Teixidor, Milagros Rey

Research output: Contribution to a Journal (Peer & Non Peer) › Article › peer-review

11 Citations (Scopus)

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.

Original language	English
Pages (from-to)	7684-7691
Number of pages	8
Journal	Dalton Transactions
Volume	39
Issue number	33
DOIs	https://doi.org/10.1039/c0dt00433b
Publication status	Published - 7 Sep 2010
Externally published	Yes

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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.",

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AU - Farràs, Pau

AU - Viñas, Clara

AU - Sillanpää, Reijo

AU - Teixidor, Francesc

AU - Rey, Milagros

PY - 2010/9/7

Y1 - 2010/9/7

N2 - 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.

AB - 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.

UR - https://www.scopus.com/pages/publications/77955458106

U2 - 10.1039/c0dt00433b

DO - 10.1039/c0dt00433b

M3 - Article

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JO - Dalton Transactions

JF - Dalton Transactions

IS - 33

ER -

The nature of the chlorination reaction in [1-C₆H ₅-1-CB₉H₉]^- boron clusters

Abstract

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