Experimental and theoretical electron density of intermediates in palladium-phenanthroline catalyzed carbonylation of amines and reductive carbonylation of nitroarenes-Reference-Cited by-同舟云学术

Experimental and theoretical electron density of intermediates in palladium-phenanthroline catalyzed carbonylation of amines and reductive carbonylation of nitroarenes

Published:2017-11-21 Issue:10 Volume:39 Page:581-586
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J. Comput. Chem.

Author:

Macchi Piero¹^ORCID,Ragaini Fabio²,Casati Nicola³,Krawczuk Anna⁴,Sironi Angelo²

Affiliation:

1. Department of Chemistry and Biochemistry; University of Bern, Freiestrasse 3; Bern 3012 Switzerland

2. Department of Chemistry; University of Milan, via Golgi 19; Milano 20133 Italy

3. Swiss Light Source, Paul Scherrer Institute, WLGA/229; Villingen 5234 Switzerland

4. Faculty of Chemistry; Jagiellonian University, Gronostajowa 2; Krakow 30-387 Poland

Funder

Swiss National Science Foundation

Italian MiUR

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Reference55 articles.

1. Catalytic synthesis of aromatic urethanes from nitroaromatic compounds and carbon monoxide, using palladium + 1,10-phenanthroline derivatives as catalyst precursors

2. Reductive carbonylation of nitroaromatic compounds to urethanes catalyzed by [Pd(1,10-phenanthroline)2][PF6]2 and related complexes

3. Carbonylation of nitrobenzene to phenyl isocyanate and methyl carbamate catalyzed by palladium and rhodium activated by chelating nitrogen donor ligands

4. Opportunities in homogeneous catalysis

5. Ligand Effects in the Palladium-Catalyzed Reductive Carbonylation of Nitrobenzene

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