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Self-adaptable Cata...
Self-adaptable Catalysts : Substrate-Dependent Ligand Configuration
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- Zalubovskis, Raivis (author)
- KTH,Organisk kemi,Christina Moberg
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- Bouet, Alexis (author)
- KTH,Organisk kemi,Christina Moberg
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- Fjellander, Ester, 1982- (author)
- KTH,Organisk kemi,Christina Moberg
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- Constant, Samuel (author)
- University of Geneva,Jérôme Lacour
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- Linder, David (author)
- University of Geneva,Jérôme Lacour
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- Andreas, Fischer (author)
- KTH,Oorganisk kemi,Andreas Fischer
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- Lacour, Jérôme (author)
- University of Geneva,Jérôme Lacour
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- Privalov, Timofei (author)
- KTH,Organisk kemi,Timofei Privalov
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- Moberg, Christina (author)
- KTH,Organisk kemi,Christina Moberg
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(creator_code:org_t)
- 2008-01-17
- 2008
- English.
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In: Journal of the American Chemical Society. - Washington DC : American Chemical Society. - 0002-7863 .- 1520-5126. ; 130:6, s. 1845-1855
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http://pubs.acs.org/...
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https://urn.kb.se/re...
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https://doi.org/10.1...
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Abstract
Subject headings
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- Pd(II) allyl and Pd(0) olefin complexes containing the configurationally labile ligand 1,2-bis-[4,5dihydro-3H-dibenzo[c-e]azepino]ethane were studied as models for intermediates in Pd-catalyzed allylic alkylations. According to NMR and DFT studies, the ligand prefers C-s conformation in both eta(3)-1,3-diphenylpropenyl and eta(3)-cyclohexenyl Pd(II) complexes, whereas in Pd(0) olefin complexes it adopts different conformations in complexes derived from the two types of allyl systems in both solution and, as verified by X-ray crystallography, in the solid state. These results demonstrate that the Pd complex is capable of adapting its structure to the reacting substrate. The different structural preferences also provide an explanation for the behavior of 1,3-diphenyl-2-propenyl acetate and 2-cyclohexenyl acetate in Pd-catalyzed allylic alkylations using pseudo-C-2 and pseudo-C-s symmetric ligands.
Subject headings
- NATURVETENSKAP -- Kemi -- Organisk kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Organic Chemistry (hsv//eng)
Keyword
- adaptable
- flexible
- phosphepine
- azepine
- Pd complex
- DFT calculations
- ligand design
- chiral shift reagent
- symmetry
- X-ray chrystallography
- Organic chemistry
- Organisk kemi
Publication and Content Type
- ref (subject category)
- art (subject category)
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