P
Pavel A. Dub
Researcher at Los Alamos National Laboratory
Publications - 78
Citations - 2270
Pavel A. Dub is an academic researcher from Los Alamos National Laboratory. The author has contributed to research in topics: Catalysis & Bifunctional. The author has an hindex of 21, co-authored 56 publications receiving 1776 citations. Previous affiliations of Pavel A. Dub include Tokyo Institute of Technology & University of Toulouse.
Papers
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Journal ArticleDOI
Catalytic Reductive Transformations of Carboxylic and Carbonic Acid Derivatives Using Molecular Hydrogen
Pavel A. Dub,Takao Ikariya +1 more
TL;DR: A comprehensive overview on homogeneous catalytic hydrogenation of carboxylic acids and its derivatives as well as carbonic acid derivatives with transition metal-based molecular catalysts is described in this paper.
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Metal–Ligand Bifunctional Catalysis: The “Accepted” Mechanism, the Issue of Concertedness, and the Function of the Ligand in Catalytic Cycles Involving Hydrogen Atoms
Pavel A. Dub,John C. Gordon +1 more
TL;DR: In this paper, the Noyori asymmetric hydrogenation reaction was shown to behave in a chemically intact manner within the productive cycle or predominantly in a chemical intact way within productive cycles, and it was shown that the ligand is rather involved in the catalytic reaction via the stabilization of determining transition states through hydrogen bonding interactions.
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Unravelling the Mechanism of the Asymmetric Hydrogenation of Acetophenone by [RuX2(diphosphine)(1,2-diamine)] Catalysts
TL;DR: The mechanism of catalytic hydrogenation of acetophenone by the chiral complex trans-[RuCl2{(S)-binap}{(S,S)-dpen}] and KO-t-C4H9 in propan-2-ol is revised on the basis of DFT computations carried out in dielectric continuum and the most recent experimental observations, suggesting that neither a six-membered pericyclic transition state nor any multibond concerted transition states
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The mechanism of enantioselective ketone reduction with Noyori and Noyori-Ikariya bifunctional catalysts.
Pavel A. Dub,John C. Gordon +1 more
TL;DR: Analysis presented herein expands the concept of "metal-ligand cooperation", redefines the term "cooperative ligand" and introduces "H(-)/H(+) outer-sphere hydrogenation" as a novel paradigm in outer- Spheres hydrogenation.
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The role of the metal-bound N–H functionality in Noyori-type molecular catalysts
Pavel A. Dub,John C. Gordon +1 more
TL;DR: A review of metal-ligand bifunctional catalysts relevant to reactions involving H2 or its equivalents can be found in this article, emphasizing systems that have been applied in industry.