Catalytic activity of linear chain ruthenium carbonyl polymer [Ru(CO)4]n in 1-hexene hydroformylation

Oresmaa, Larisa; Moreno, M. Andreina; Jakonen, Minna; Suvanto, Sari; Haukka, Matti

doi:10.1016/j.apcata.2008.10.028

Cited by 26 publications

(20 citation statements)

References 22 publications

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“…Structures that incorporate one-dimensional metal atom chains attract interest for a variety of reasons, such as their conductivity [1,2], luminescence [3][4][5], vapochromism [6][7][8], and magnetic [9][10][11], and catalytical [12][13][14][15] properties. Some of these properties are linked directly to the interacting metal atoms in the metal chain, while others can be attributed to metal-ligand interactions of single units in the chain.…”

Section: Introductionmentioning

confidence: 99%

Metal–metal interactions in linear tri-, penta-, hepta-, and nona-nuclear ruthenium string complexes

2011

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Density functional theory (DFT) methodology was used to examine the structural properties of linear metal string complexes: [Ru(3)(dpa)(4)X(2)] (X = Cl(-), CN(-), NCS(-), dpa = dipyridylamine(-)), [Ru(5)(tpda)(4)Cl(2)], and hypothetical, not yet synthesized complexes [Ru(7)(tpta)(4)Cl(2)] and [Ru(9)(ppta)(4)Cl(2)] (tpda = tri-α-pyridyldiamine(2-), tpta = tetra-α-pyridyltriamine(3-), ppta = penta-α-pyridyltetraamine(4-)). Our specific focus was on the two longest structures and on comparison of the string complexes and unsupported ruthenium backboned chain complexes, which have weaker ruthenium-ruthenium interactions. The electronic structures were studied with the aid of visualized frontier molecular orbitals, and Bader's quantum theory of atoms in molecules (QTAIM) was used to study the interactions between ruthenium atoms. The electron density was found to be highest and distributed most evenly between the ruthenium atoms in the hypothetical [Ru(7)(tpta)(4)Cl(2)] and [Ru(9)(ppta)(4)Cl(2)] string complexes.

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Section: Introductionmentioning

confidence: 99%

Metal–metal interactions in linear tri-, penta-, hepta-, and nona-nuclear ruthenium string complexes

2011

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“…Various transition metals and complexes have been supported on the CNTs for liquid-phase (e.g. hydrogenation [5], hydroformylation [6], methanol oxidation [7]) and gas-phase reactions (e.g. Fischer-Tropsch process [8], ammonia decomposition reactions [9]).…”

Section: Introductionmentioning

confidence: 99%

“…Salavati-Niasari et al [13] achieved a 80.6% conversion of cyclohexene and 82.7% selectivity to epoxide using cobalt (Co) Schiff base complex anchored on CNTs. Moghadam et al studied the catalytic behavior of tungsten hexacarbonyl (W(CO) 6 ) [14] and molybdenum hexacarbonyl (Mo(CO) 6 ) [15] supported on CNTs, and found the heterogeneous metal carbonyl catalysts had high stability and reusability in epoxidation without losing their catalytic activity. However, even though these findings illustrated that Schiff base and metal carbonyl catalysts were capable of catalyzing the epoxidation reactions, the preparation procedure for these catalysts was complicated and many organic reagents (dimethylformamide, tetrahydrofuran, thionyldichloride, etc.)…”

Section: Introductionmentioning

confidence: 99%

Epoxidation of styrene using carbon nanotubes-supported cobalt catalysts

Jin

Zhu

et al. 2014

Inorganica Chimica Acta

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“…Ruthenium polymers [Ru(CO) 4 ] n have also been used in the hydroformylation of 1-hexene, showing greater levels of catalytic activity than the commonly used Ru 3 (CO) 12 cluster. 14 The hydroformylation of α-olefins has also been reported using a catalytic system based on Ru 3 (CO) 12 /1,10-phenanthroline. 15 In that work propylene was hydroformylated under 80 atm of synthesis gas (CO:H 2 = 1:1) in amide solvents to produce aldehydes (C 4 ) in high yields, with high regioselectivity in linear aldehyde (>95%).…”

Section: Introductionmentioning

confidence: 99%

MECHANISTIC STUDY OF A RUTHENIUM HYDRIDE COMPLEX OF TYPE [RuH(CO)(N-N)(PR3)2]+ AS CATALYST PRECURSOR FOR THE HYDROFORMYLATION REACTION OF 1-HEXENE

Moya

Yáñez-S

Pérez

et al. 2016

J. Chil. Chem. Soc.

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The catalytic activity of systems of type [RuH(CO)(N-N)(PR 3 ) 2 ] + was evaluated in the hydroformylation reaction of 1-hexene. The observed activity is explained through a reaction mechanism on the basis of the quantum theory. The mechanism included total energy calculations for each of the intermediaries of the elemental steps considered in the catalytic cycle. The deactivation of the catalyst precursors takes place via dissociation of the polypyridine ligand and the subsequent formation of thermodynamically stable species, such as RuH(CO) 3 (PPh 3 ) 2 and RuH 3 (CO)(PPh 3 ) 2 , which interrupt the catalytic cycle. In addition, the theoretical study allows to explain the observed regioselectivity which is defined in two steps: (a) the hydride migration reaction with an anti-Markovnikov orientation to produce the alkyl-linear-complex (3.1a), which is more stable by 19.4 kJ/mol than the Markovnikov orientation (alkyl-branched-complex) (3.1b); (b) the carbon monoxide insertion step generates the carbonyl alkyl-linear specie (4.1a) which is more stable by 9.5 kJ/mol than the alternative species (4.1b), determining the preferred formation of heptanal in the hydroformylation of 1-hexene.

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Catalytic activity of linear chain ruthenium carbonyl polymer [Ru(CO)4]n in 1-hexene hydroformylation

Cited by 26 publications

References 22 publications

Metal–metal interactions in linear tri-, penta-, hepta-, and nona-nuclear ruthenium string complexes

Metal–metal interactions in linear tri-, penta-, hepta-, and nona-nuclear ruthenium string complexes

Epoxidation of styrene using carbon nanotubes-supported cobalt catalysts

MECHANISTIC STUDY OF A RUTHENIUM HYDRIDE COMPLEX OF TYPE [RuH(CO)(N-N)(PR3)2]+ AS CATALYST PRECURSOR FOR THE HYDROFORMYLATION REACTION OF 1-HEXENE

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