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Volumn 5, Issue 4, 2015, Pages 2404-2415

Base-Free Methanol Dehydrogenation Using a Pincer-Supported Iron Compound and Lewis Acid Co-catalyst

Author keywords

catalysis; DFT calculations; Iron; metal ligand cooperativity; methanol dehydrogenation; pincer ligands

Indexed keywords

CARBON DIOXIDE; CATALYSIS; CATALYSTS; COBALT COMPOUNDS; DEHYDROGENATION; DENSITY FUNCTIONAL THEORY; FUEL STORAGE; HYDROGEN; HYDROGEN STORAGE; IRON; LIGANDS; METALS; METHANOL; TRANSITION METAL COMPOUNDS; TRANSITION METALS;

EID: 84927139068     PISSN: 21555435     EISSN: None     Source Type: Journal    
DOI: 10.1021/acscatal.5b00137     Document Type: Article
Times cited : (193)

References (49)
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    • note
    • In the experiment using a low catalyst loading of 2a (0.001 mol %) it was possible to reduce the amount of LiBF4 from 10 to 1 mol % with no decrease in catalytic activity.
  • 39
    • 84890334559 scopus 로고    scopus 로고
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    • note
    • For a more detailed discussion of the differences between Yang's proposed pathway and our pathway see ref 10e.
  • 42
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    • note
    • Even though the best catalytic activity was observed using Li+ as the LA, we computationally modeled the LA as Na+. This is due to the difficulties in modelling the aggregation of Li+, which can lead to the presence of clusters in solution.
  • 43
    • 84927140500 scopus 로고    scopus 로고
    • note
    • The decarboxylation of D1 to form D3 is thermodynamically disfavored. This indicates that CO2 insertion into D3 is thermodynamically favored and that these complexes may act as catalysts for CO2 hydrogenation to formate. This is a topic of ongoing investigation in our laboratories.
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* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.