Push-pull-allenes: The influences of substituents on the activation of allenes by biomimetic zinc complexes

Jahn, Burkhard O., Eger, Wilhelm A. and Anders, Ernst (2010) Push-pull-allenes: The influences of substituents on the activation of allenes by biomimetic zinc complexes. Zeitschrift fur Naturforschung B - Journal of Chemical Sciences, 65b 3: 425-432.

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Author Jahn, Burkhard O.
Eger, Wilhelm A.
Anders, Ernst
Title Push-pull-allenes: The influences of substituents on the activation of allenes by biomimetic zinc complexes
Journal name Zeitschrift fur Naturforschung B - Journal of Chemical Sciences   Check publisher's open access policy
ISSN 0932-0776
1865-7117
Publication date 2010-03-01
Sub-type Article (original research)
Open Access Status Not Open Access
Volume 65b
Issue 3
Start page 425
End page 432
Total pages 8
Place of publication Tuebingen, Germany
Publisher Verlag der Zeitschrift fuer Naturforschung
Language eng
Abstract The influence of substituents at the allene 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. © 2010 Verlag der Zeitschrift für Naturforschung.
Keyword Allenes
Substitution effects
Carbonic anhydrase
Cumulene activation
Q-Index Code C1
Q-Index Status Confirmed Code
Institutional Status UQ

Document type: Journal Article
Sub-type: Article (original research)
Collections: Official 2011 Collection
School of Chemistry and Molecular Biosciences
 
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Citation counts: TR Web of Science Citation Count  Cited 2 times in Thomson Reuters Web of Science Article | Citations
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Created: Sun, 20 Jun 2010, 10:00:09 EST