Journal article
Carbon dioxide reduction by mononuclear ruthenium polypyridyl complexes
Physical chemistry chemical physics : PCCP, Vol.13(43), pp.19480-19484
01/01/2011
DOI: 10.1039/c1cp22814e
PMID: 21970895
Abstract
New mononuclear ruthenium complexes with general formula [Ru(bid)(B)(Cl)] (bid is (1Z, 3Z)-1,3-bis(pyridin-2-ylmethylene) isoindolin-2-ide; B = bidentate ligand 2,2'-bipyridine or R-2-bpy, where R = COOEt or OMe) were synthesized and tested as precatalysts for the hydrogenative reduction of CO2 in 2,2,2-trifluoroethanol (TFE) as solvent with added NEt3. Significant amounts of formic acid were produced by these catalysts and a kinetic analysis based on initial rate constants was carried out. The potential mechanisms including intermediate species for these catalytic systems were investigated by means of quantum chemical calculations to gain deeper insight into the processes. The effect of electron-donating and electron-withdrawing groups on catalyst performance was studied both experimentally and theoretically.
Details
- Title: Subtitle
- Carbon dioxide reduction by mononuclear ruthenium polypyridyl complexes
- Creators
- Nora Planas - Institut Català d'Investigació QuímicaTakashi Ono - Institut Català d'Investigació QuímicaLydia Vaquer - Institut Català d'Investigació QuímicaPere Miro - University of MinnesotaJordi Benet-Buchholz - Inst Chem Res Catalonia ICIQ, E-43007 Tarragona, SpainLaura Gagliardi - University of MinnesotaChristopher J. Cramer - University of MinnesotaAntoni Llobet - Institut Català d'Investigació Química
- Resource Type
- Journal article
- Publication Details
- Physical chemistry chemical physics : PCCP, Vol.13(43), pp.19480-19484
- Publisher
- Royal Soc Chemistry
- DOI
- 10.1039/c1cp22814e
- PMID
- 21970895
- ISSN
- 1463-9076
- eISSN
- 1463-9084
- Number of pages
- 5
- Grant note
- CTQ2010-21497; CSD2006-0003 / MICINN; Ministry of Science and Innovation, Spain (MICINN); Spanish Government CHE09-52054 / US NSF; National Science Foundation (NSF) 0952054 / Direct For Mathematical & Physical Scien; Division Of Chemistry; National Science Foundation (NSF); NSF - Directorate for Mathematical & Physical Sciences (MPS)
- Language
- English
- Date published
- 01/01/2011
- Academic Unit
- Chemistry
- Record Identifier
- 9984618519002771
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