Synthesis of propylene oxide from propylene and hydrogen peroxide catalyzed by titanium silicalite

Clerici, Mario G.; Bellussi, Giuseppe; Romano, U.

doi:10.1016/0021-9517(91)90019-z

Cited by 719 publications

(259 citation statements)

References 15 publications

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“…This assertion is supported by the known effective epoxidation of propene by hydrogen peroxide promoted by titania catalysts. 6 Furthermore, it has been confirmed experimentally that hydrogen peroxide 7 and peroxide species 8 are formed from H 2 and O 2 in the reaction catalyzed by gold supported on titania. However, there is as yet no experimental evidence for the existence of peroxide species during the epoxidation reaction involving H 2 and O 2 .…”

Section: Introductionmentioning

confidence: 85%

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Reaction mechanism of the direct gas phase synthesis of H2O2 catalyzed by Au3

Njegic¹,

Gordon²

2008

The Journal of Chemical Physics

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The gas phase reaction of molecular oxygen and hydrogen catalyzed by a Au3cluster to yield H2O2 was investigated theoretically using second order Z-averaged perturbation theory, with the final energies obtained with the fully size extensive completely renormalized CR-CC(2,3) coupled clustertheory. The proposed reaction mechanism is initiated by adsorption and activation of O2 on the Au3cluster. Molecular hydrogen then binds to the Au3O2 global minimum without an energy barrier. The reaction between the activated oxygen and hydrogen molecules proceeds through formation of hydroperoxide (HO2) and a hydrogen atom, which subsequently react to form the product hydrogen peroxide. All reactants, intermediates, and product remain bound to the goldcluster throughout the course of the reaction. The steps in the proposed reaction mechanism have low activation energy barriers below 15kcal∕mol. The overall reaction is highly exothermic by ∼30kcal∕mol. KeywordsGold, Hydrogen reactions, Activation energies, Reaction mechanisms, Density functional theory Disciplines Chemistry CommentsThe following article appeared in Journal of Chemical Physics 129 (2008) The gas phase reaction of molecular oxygen and hydrogen catalyzed by a Au 3 cluster to yield H 2 O 2 was investigated theoretically using second order Z-averaged perturbation theory, with the final energies obtained with the fully size extensive completely renormalized CR-CC͑2,3͒ coupled cluster theory. The proposed reaction mechanism is initiated by adsorption and activation of O 2 on the Au 3 cluster. Molecular hydrogen then binds to the Au 3 O 2 global minimum without an energy barrier. The reaction between the activated oxygen and hydrogen molecules proceeds through formation of hydroperoxide ͑HO 2 ͒ and a hydrogen atom, which subsequently react to form the product hydrogen peroxide. All reactants, intermediates, and product remain bound to the gold cluster throughout the course of the reaction. The steps in the proposed reaction mechanism have low activation energy barriers below 15 kcal/ mol. The overall reaction is highly exothermic by ϳ30 kcal/ mol.

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Section: Introductionmentioning

confidence: 85%

“…The apparent energy of activation ͓⌬E b ͑app͔͒ and reaction enthalpy ͑⌬H r ͒ are reported as well. orbital, with atomic spin populations of ϳ0.45 on both Au 6 and Au 7 ͓Fig. 4͑c͔͒.…”

Section: Resultsmentioning

confidence: 99%

Reaction mechanism of the direct gas phase synthesis of H2O2 catalyzed by Au3

Njegic¹,

Gordon²

2008

The Journal of Chemical Physics

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“…Many other structures than MFI zeolites were used Another important use of TS-1 catalyst is the production of propylene oxide, by the hydrogen peroxide peroxidation in liquid phase of propylene [11] and the use of TS-1 in the production of much kind of epoxides Table 7 Diphenols production. Yield on a hydrogen peroxide basis.…”

Section: Liquid Phase Oxidation On Catalyst Based On Zeolitesmentioning

confidence: 99%

Oxidation Catalysis in Clean Technologies for Fine Chemicals

Albonetti¹,

Pozzo²,

Trifirò³

2017

Eurasian Chem. Tech. J.

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The role of heterogeneous catalysis for the production of fine chemicals is reviewed with particular interest for the oxidation in a wide range of aspects of this kind of processes: reaction of oxygen insertion, oxidative dehydrogenation and nitrogen insertion (with ammonia and oxygen).In this review are examined the main processes industrially applied and the best research perspectives in the field of heterogeneous oxidation catalysis for the synthesis of fine chemicals. It is an important point of view in relation with the typical parameters of this field of industrial chemistry and in relation with the driving force of environmental friendly technologies (the line guides of green chemistry) to substitute traditional processes. It is examined either the possibility of the use of gas phases, that is better on an economical and plant point of view, with molecular oxygen, nitrous oxide (it is a very specific oxidant, and it is active in mild conditions) and with the technique of short bed reactor to minimise the effects of the consecutive oxidation reaction particularly on aromatic side chains. Or the use of liquid phases, very useful to work in mild conditions with not stable reagents, with hydrogen peroxide and other alternative oxidants such as regenerable organic hydroperoxides. In the liquid phase reactions it is posed a particular interest in the oxidations carried out with the use of metal doped zeolites, with special attention to tianiasilica catalysts such as TS-1 with the new developments of hydrogen peroxide in situ generation; and heteropoly compounds.

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“…Transition metal compounds such as metalloporphyrin [12], titanosilicates [13], methyltrioxorhenium [14], tungsten compounds [15][16][17][18], polyoxometalates [19,20], and manganese complexes [21] have been employed as a catalyst for H2O2-based epoxidation, either homogeneous or heterogeneous. Unfortunately, these systems have disadvantages, such as low efficiency of H2O2 utilization and low selectivity to epoxides (or low stereospecificity) [12][13][14][15][16][17][18][19][20], limited number of applicable olefins [21], and high reaction temperatures [15][16][17] complexes were reported to efficiently epoxidize aromatic or substituted alkenes with high yields using peroxycarboxylic acids at -80 ℃, where salen is N,N'-bis(salicylidene)ethylenediamine [23,24]. However, these catalysts are not effective in epoxidizing most terminal and trans-olefins [25][26][27][28].…”

Section: Introductionmentioning

confidence: 99%

Effect of Temperature and Reaction Time on the Synthesis of Butadiene Monoepoxide Using Iron Complex as an Efficient Catalyst

Zong¹,

Kharismadewi²,

Sup³

et al. 2012

Clean Technology

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at -10 ℃ with low catalyst loadings by using commercially available peracetic acid as an oxidant. The main aspect of our study is to investigate the effect of temperature (from -10 to -40 ℃) and time on the epoxidation reaction. The epoxidation reaction was fast and almost completed within 5 min at temperatures above -20 ℃, whereas it became slow at temperatures below -20 ℃. The yield of butadiene monoepoxide (BMO)increased with increasing the reaction time. Generally, when the more butadiene was used, the higher yield was obtained. The highest yield of BMO was 90%.

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Synthesis of propylene oxide from propylene and hydrogen peroxide catalyzed by titanium silicalite

Cited by 719 publications

References 15 publications

Reaction mechanism of the direct gas phase synthesis of H2O2 catalyzed by Au3

Reaction mechanism of the direct gas phase synthesis of H2O2 catalyzed by Au3

Oxidation Catalysis in Clean Technologies for Fine Chemicals

Effect of Temperature and Reaction Time on the Synthesis of Butadiene Monoepoxide Using Iron Complex as an Efficient Catalyst

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