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Benzoquinone-induced stereoselective chloride migration in (eta(3)-allyl)palladium complexes. A theoretical mechanistic study complemented by experimental verification
Uppsala University.
1998 (English)In: ORGANOMETALLICS, Vol. 17, no 9, 1677-1686 p.Other (Other scientific)
Abstract [en]

Benzoquinone-mediated Cl- migration reactions in (eta(3)-allyl)palladium complexes were studied using density functional theory at the B3PW91 level. p-Benzoquinone coordinates to palladium in an eta(2) fashion, exerting considerable steric and electronic

Place, publisher, year, pages
AMER CHEMICAL SOC , 1998. Vol. 17, no 9, 1677-1686 p.
Keyword [en]
PALLADIUM-CATALYZED 1;4-DIACETOXYLATION; EFFECTIVE CORE POTENTIALS; NUCLEOPHILIC-ATTACK; TRANSITION-METAL; MOLECULAR CALCULATIONS; ALLYLIC ALKYLATION; CONJUGATED DIENES; ANCILLARY LIGANDS; ACETOXYLATION; 1;3-DIENES
Identifiers
URN: urn:nbn:se:uu:diva-84779OAI: oai:DiVA.org:uu-84779DiVA: diva2:112687
Note
Addresses: Szabo KJ, Univ Uppsala, Dept Organ Chem, Box 531, S-75121 Uppsala, Sweden. Univ Uppsala, Dept Organ Chem, S-75121 Uppsala, Sweden.Available from: 2008-10-17 Created: 2008-10-17

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