期刊
INORGANICA CHIMICA ACTA
卷 369, 期 1, 页码 2-14出版社
ELSEVIER SCIENCE SA
DOI: 10.1016/j.ica.2010.12.042
关键词
Density functional theory; Regioselectivity; Transition metal catalysis; Reductive couplings; Cycloadditions
资金
- National Science Foundation [CHE-0548209]
- Direct For Mathematical & Physical Scien [1059084] Funding Source: National Science Foundation
- Division Of Chemistry [1059084] Funding Source: National Science Foundation
This review highlights our theoretical studies of regioselectivities of Rh-catalyzed (5 + 2) cycloadditions, Ni-catalyzed reductive alkyne-aldehyde couplings, and Rh-catalyzed hydrogenative couplings of diynes and carbonyl partners. Factors that control the regioselectivities in these reactions are analyzed; these include steric repulsions involving the substrate and ligands, electronic effects dictated by metal-substrate interactions, and directing effects of conjugated alkenyl and alkynyl groups involving coordination to the metal. (C) 2010 Elsevier B.V. All rights reserved.
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