Browsing by Subject "Reaction mechanisms"

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    Room-temperature direct β-arylation of thiophenes and benzo[b]thiophenes and kinetic evidence for a Heck-type pathway
    (American Chemical Society, 2016-01-20) Colletto, Chiara; Islam, Saidul; Juliá Hernández, Francisco; Larrosa, Igor; Química Inorgánica
    The first example of a regioselective β-arylation of benzo[b]thiophenes and thiophenes at room temperature with aryl iodides as coupling partners is reported. This methodology stands out for its operational simplicity: no prefunctionalization of either starting material is required, the reaction is insensitive to air and moisture, and it proceeds at room temperature. The mild conditions afford wide functional group tolerance, often with complete regioselectivity and high yields, resulting in a highly efficient catalytic system. Initial mechanistic studies, including 13C and 2 H KIEs, suggest that this process occurs via a concerted carbo-palladation across the thiophene double bond, followed by a base-assisted anti-elimination.
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    Unified theoretical treatment of the Eirrev, CE, EC and CEC mechanisms under voltammetric conditions
    (2018-04-03) Molina, Angela; López-Tenés, Manuela; Laborda Ochando, Eduardo; Química Física
    Via a thoughtful analysis it is demonstrated that the mathematical problem of the voltammetry of a simple charge transfer process of any reversibility degree at a macrointerface is totally equivalent to those of the CE, EC and CEC mechanisms such that they all can be reduced to a formally identical one-variable problem. The simplicity and generality of the resulting boundary value problem makes it very easy and rapid the study of the response in any voltammetric technique by analytical or numerical methods.