Highly effective pincer-ligated iridium catalysts for alkane dehydrogenation. DFT calculations of relevant thermodynamic, kinetic, and spectroscopic properties

Journal of the American Chemical Society

Volumn 126, Issue 40, 2004, Pages 13044-13053

  Zhu, Keming ^a   Achord, Patrick D ^a   Zhang, Xiawei ^a   Krogh Jespersen, Karsten ^a   Goldman, Alan S ^a  

^a RUTGERS UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CATALYSIS; CATALYSTS; DEHYDROGENATION; PARAFFINS; REACTION KINETICS; THERMODYNAMIC PROPERTIES;

ELECTROSTATIC EFFECTS; PINCER-LIGATED IRIDIUM CATALYSTS;

IRIDIUM;

1,3 BIS[[DI(ISOPROPYL)PHOSPHINO]METHYL] 5 METHOXYBENZENE; ALKANE DERIVATIVE; ANISOLE DERIVATIVE; CYCLODECANE; CYCLOOCTANE; DIISOPROPYLPHOSPHINE; HYDROGEN; IRIDIUM COMPLEX; LIGAND; OCTANE; PHOSPHINE DERIVATIVE; UNCLASSIFIED DRUG;

ADDITION REACTION; ARTICLE; CATALYST; CHEMICAL BOND; CHEMICAL REACTION KINETICS; DEHYDROGENATION; DENSITY FUNCTIONAL THEORY; DISSOCIATION; ELECTRON; ELIMINATION REACTION; LIGAND BINDING; SPECTROSCOPY; THERMODYNAMICS;

EID: 5644254179     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja047356l     Document Type: Article

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24. 4, much higher yields have been obtained for !he dehydrogenation of tertiary amines to give enamines (Zhang, X.; Goldman, A. S. Unpublished results) and (the partial dehydrogenation of saturated polyolefins (Ray, A.; Goldman, A. S. Unpublished results, 2003).
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