Počet záznamů: 1

Push-Pull-Allenes: The Influences of Substituents on the Activation of Allenes by Biomimetic Zinc Complexes

  1. 1.
    0354000 - UOCHB-X 2011 RIV DE eng J - Článek v odborném periodiku
    Jahn, Burkhard O. - Eger, W. A. - Anders, E.
    Push-Pull-Allenes: The Influences of Substituents on the Activation of Allenes by Biomimetic Zinc Complexes.
    Zeitschrift fur Naturforschung. Section B: a Journal of Chemical Sciences. 65b, č. 3 (2010), s. 425-432 ISSN 0932-0776
    Výzkumný záměr: CEZ:AV0Z40550506
    Klíčová slova: allenes * substitution effects * carbonic anhydrase
    Kód oboru RIV: CF - Fyzikální chemie a teoretická chemie
    Impakt faktor: 0.816, rok: 2010

    The influence of substituents at the alien skeleton on the rate-determining step of the reaction with nucleophiles catalyzed by biomimetic zinc complexes was investigated with quantum chemical (especially DFT) methods. Additional examinations were applied to derivatives of the zinc hydroxide complex modeled in analogy to the catalytic center of carbonic anhydrase. Especially suitable substituents in the allene moiety can lead to a significant lowering of the activation barrier. Further we demonstrate that by the application of this principle of a bioanalogous enhancement of reactivity other nucleophiles instead of the biological substrate can also be reactants in completely closed catalytic reaction cycles.
    Trvalý link: http://hdl.handle.net/11104/0193095