Catalysis beyond frontier molecular orbitals: Selectivity in partial hydrogenation of multi-unsaturated hydrocarbons on metal catalysts-Reference-Cited by-同舟云学术

Catalysis beyond frontier molecular orbitals: Selectivity in partial hydrogenation of multi-unsaturated hydrocarbons on metal catalysts

Published:2017-07-07 Issue:7 Volume:3 Page:
ISSN:2375-2548
Container-title:Science Advances
language:en
Short-container-title:Sci. Adv.

Author:

Liu Wei¹,Jiang Yingda¹,Dostert Karl-Heinz²,O’Brien Casey P.²,Riedel Wiebke²,Savara Aditya²^ORCID,Schauermann Swetlana²³,Tkatchenko Alexandre²⁴

Affiliation:

1. Nano Structural Materials Center, School of Materials Science and Engineering, Nanjing University of Science and Technology, Nanjing 210094, Jiangsu, China.

2. Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, 14195 Berlin, Germany.

3. Christian-Albrechts-Universität zu Kiel, Max-Eyth-Strasse 2, 24118 Kiel, Germany.

4. Physics and Materials Science Research Unit, University of Luxembourg, L-1511 Luxembourg, Luxembourg.

Abstract

Broadening of inner molecular orbitals upon adsorption can predict chemoselectivity of metal catalysts.

Publisher

American Association for the Advancement of Science (AAAS)

Subject

Multidisciplinary

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4. Hydroacylation of α,β-unsaturated esters via aerobic C–H activation;Chudasama V.;Nat. Chem.,2010

5. Modeling adsorption and reactions of organic molecules at metal surfaces;Liu W.;Acc. Chem. Res.,2014

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