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Archive for the ‘Hot Articles’ Category

Olefin epoxidation – which catalyst to choose?

07 Dec 2012

Simone Hauser, Mirza Cokoja and Fritz Kühn explore recent developments in homogeneous epoxidation catalysts in this hot Catalysis Science & Technology Perspective. They look at the different catalysts used for different olefins as well as thinking about the context in which the catalysts would be used.

The manuscript is currently free so download it now, it might help you decide which catalyst to use….

Epoxidation of olefins with homogeneous catalysts – quo vadis?
Simone A. Hauser, Mirza Cokoja and Fritz E. Kühn
Catal. Sci. Technol., 2013
DOI: 10.1039/C2CY20595E

Other Catalysis Science & Technology articles by the same author are:

Xylyltrioxorhenium – the first arylrhenium(VII) oxide applicable as an olefin epoxidation catalyst
Stefan Huber, Mirza Cokoja, Markus Drees, János Mínk and Fritz E. Kühn
Catal. Sci. Technol., 2013
DOI: 10.1039/C2CY20371E, Paper

PtO₂ as a “self-dosing” hydrosilylation catalyst
Sophie Putzien, Eckhart Louis, Oskar Nuyken and Fritz E. Kühn
Catal. Sci. Technol., 2012, 2, 725-729
DOI: 10.1039/C2CY00367H

Methyltrioxorhenium-catalysed oxidation of pseudocumene in the presence of amphiphiles for the synthesis of vitamin E
Mónica Carril, Philipp Altmann, Werner Bonrath, Thomas Netscher, Jan Schütz and Fritz E. Kühn
Catal. Sci. Technol., 2012, 2, 722-724
DOI: 10.1039/C1CY00313E

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New trends in the synthesis of crystalline microporous materials

29 Nov 2012

Microporous materials have a wide range of applications, industrially used as catalysts, molecular sieves and ion-exchangers, zeolites are an important class of microporous material that have generated a huge amount of academic and industrial interest in modern times. With over 200 framework types officially recognized by the Structure Commission of the International Zeolite Association, there is also wide diversity in chemical structure and functionality.

This Hot Perspective by Roberto Millini et al. summarises the latest developments in the field of zeolites, with a focus on areas of innovation such as synthetic procedures, framework composition, hybrid materials and morphologies.

This article is free to download, but only for a limited time…………………… As of January 2013 Catalysis Science & Technology is available by subscription only.

New trends in the synthesis of crystalline microporous materials
Giuseppe Bellussi, Angela Carati, Caterina Rizzo and Roberto Millini
Catal. Sci. Technol., 2013, Advance Article
DOI: 10.1039/C2CY20510F

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Hydroformylation for the higher alkenes

14 Nov 2012

Hydroformylation (or the oxo process) is an important industrial procedure which combines alkenes with carbon monoxide and hydrogen to produce aldehydes, which are easily hydrogenated to alcohols and then plasticizers or detergents. Hydroformylation is used to produce around 9 million tons of aldehyde per year world-wide and is one of the largest industrial applications of homogeneous catalysis.

Catalyst recycling is highly desirable to reduce costs and was effectively implemented for short chain alkenes with the development of the aqueous biphasic Ruhrchemie/Rhone-Poulenc (RCH/RP) process, however due to mass-transfer limitations the application of this process is constrained to the short chain hydrocarbons. This Hot Perspective by Lorenz Obrecht, Paul C. J. Kamer and Wouter Laan details some of the alternative approaches which have been developed for the aqueous–organic biphasic hydroformylation for higher alkenes.

Alternative approaches for the aqueous–organic biphasic hydroformylation of higher alkenes
Lorenz Obrecht, Paul C. J. Kamer and Wouter Laan
Catal. Sci. Technol., 2013, Advance Article

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Theoretical study of palladium leaching

28 Sep 2012

A collaboration of scientists in China, Germany and Singapore have used a computational model to study palladium leaching processes under a carbon monoxide atmosphere.

Deactivation of solid catalysts is an important issue in chemical industries and other catalytic applications. One of the causes of deactivation is the loss of active component due to corrosion or leaching by the reaction medium.

The team found that the loss of the active metal component is governed by the structure of the catalyst surface and the pressure (coverage) of carbon monoxide. They concluded that Pd leaching is likely under common catalytic conditions.

To read about the proposed mechanism by which this occurs, read the article now…

Theoretical study on the leaching of palladium in a CO atmosphere
C.-R. Chang et al., Catal. Sci. Technol., 2012

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Taking in situ catalysis to a new level

20 Sep 2012

Raimund Horn and colleagues have combined the measurement of kinetic and spectroscopy reactor profiles to establish catalyst structure–function relationships in this HOT Catalysis Science & Technology paper.

Their research focuses on the oxidative dehydrogenation of ethane to ethylene using a MoO₃ based catalyst supported on γ-alumina spheres. We are shown how measuring spatially resolved kinetic and spectroscopic profiles along the centreline of a fixed bed tubular reactor can be used to resolve the dynamics of a catalyst under working conditions.

For more details, download the article now…

Resolving kinetics and dynamics of a catalytic reaction inside a fixed bed reactor by combined kinetic and spectroscopic profiling
Michael Geske, Oliver Korup and Raimund Horn
Catal. Sci. Technol., 2012
DOI: 10.1039/C2CY20489D

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Cheaper catalyst for Fischer–Tropsch synthesis

07 Sep 2012

K-promoted Mo carbide catalyst could replace expensive Pt in Fischer–Tropsch synthesis

This HOT paper reports the promotional effect of potassium addition to an alumina-supported molybdenum carbide catalyst in Fischer–Tropsch synthesis of higher hydrocarbons like olefins and paraffins. Such a catalyst could replace expensive expensive platinum catalysts for liquid fuel production.

Download the manuscript to find out more…

A potassium-promoted Mo carbide catalyst system for hydrocarbon synthesis
Dai-Viet N. Vo and Adesoji A. Adesina
Catal. Sci. Technol., 2012, Advance Article
DOI: 10.1039/C2CY20385E, Paper

You might also find the following articles interesting…

Low temperature hydrogenolysis of waxes to diesel range gasoline and light alkanes: Comparison of catalytic properties of group 4, 5 and 6 metal hydrides supported on silica–alumina
Sebastien Norsic, Cherif Larabi, Marco Delgado, Anthony Garron, Aimery de Mallmann, Catherine Santini, Kai C. Szeto, Jean-Marie Basset and Mostafa Taoufik
Catal. Sci. Technol., 2012, 2, 215-219
DOI: 10.1039/C1CY00256B

Fischer–Tropsch reaction–diffusion in a cobalt catalyst particle: aspects of activity and selectivity for a variable chain growth probability
David Vervloet, Freek Kapteijn, John Nijenhuis and J. Ruud van Ommen
Catal. Sci. Technol., 2012, 2, 1221-1233
DOI: 10.1039/C2CY20060K

A highly selective Raney Fe@HZSM-5 Fischer–Tropsch synthesis catalyst for gasoline production: one-pot synthesis and unexpected effect of zeolites
Bo Sun, Guobin Yu, Jun Lin, Ke Xu, Yan Pei, Shirun Yan, Minghua Qiao, Kangnian Fan, Xiaoxin Zhang and Baoning Zong
Catal. Sci. Technol., 2012, 2, 1625-1629
DOI: 10.1039/C2CY20155K

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Acid functionalized carbon nanotubes provide superior catalyst support

06 Sep 2012

Aerobic oxidation of benzyl alcohol in base-free aqueous solutions using acid-functionalized CNT as catalyst support

In this HOT Article, Yang et al have investigated the use of acid-functionalized carbon nanotubes (CNT) as a catalyst support for benzyl alcohol oxidation in a base-free aqueous solution under mild conditions.

CNT supported Pt-based bimetallic nanoparticles were synthesized by finely alloying Pt with Ru or Sn by microwave assisted polyol reduction (MAPR). The MAPR method was found to produce superior CNT supports compared to conventional methods of impregnation or deposition, yielding homogeneously dispersed particles with narrow size distribution and hence enhanced surface Pt exposure. Characterization results revealed the mechanism of action of Ru and Sn promoters on the catalysts: Ru reacted with the surface of the Pt-hydride species to liberate free Pt active sites whereas Sn enhanced electronic transfer.

Ring opening of biomass-derived furan rings

14 Aug 2012

Fuel conversion from biomass to liquid hydrocarbons is a fast moving area of research and presents an opportunity to decrease our dependence on fossil fuels and move towards a more carbon neutral fuel economy. For use in transportation there are currently a range of strategies being considered to create liquid fuel from different biomass feedstocks (see Catalytic routes for the conversion of biomass into liquid hydrocarbon transportation fuels).

John C. Gordon, L. A. ‘‘Pete’’ Silks and colleagues have recently investigated a method of opening biomass-derived furan rings, under mild conditions, using homogeneous Bronsted acid catalysis.

The products observed during acid catalyzed ring opening of furan containing biomass-derived substrates are strongly influenced by furan substituents.

When generating fuel from non-food biomass there are many chemical hurdles to overcome, including the breakdown of lignocellulose and subsequent deoxygenation and hydrogenation of the resulting products. Gasification followed by Fischer–Tropsch reaction is a promising route to biomass conversion, but requires high temperatures and initial oxidation of the biomass.

An important challenge is the opening of ring structures.

While cellulose based biofuel precursors can be hydrolyzed under mild conditions, subsequent dehydration of these sugars leads to the generation of furans and aldehydes. In their Hot Article John C. Gordon et al. have investigated experimentally and theoretically the ring opening mechanism of furans on molecules derived from biomass, using acid catalysis <100^oC. This important study gives insight into the ring opening process which is necessary to create linear alkane chains for use as liquid fuels.

Download their article for free to find out more

Functional group dependence of the acid catalyzed ring opening of biomass derived furan rings: an experimental and theoretical study
Christopher R. Waidmann, Aaron W. Pierpont, Enrique R. Batista, John C. Gordon, Richard L. Martin, L. A. “Pete” Silks, Ryan M. West and Ruilian Wu
DOI: 10.1039/C2CY20395B

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Back to first principles for industry

27 Jul 2012

First-principles kinetic modeling in heterogeneous catalysis

This Perspective article by Reuter et al. focuses on the use of theoretical simulation tools based on ab initio calculations in heterogeneous catalysis –which to date have been rarely utilised by industry. The first half of the review covers state-of-the-art first principles-based kinetic modeling to encourage more widespread application in industry, the latter half then identifies the shortfalls of the modeling and attempts to identify areas in which more progress is needed.

For more information please read the full article for FREE at:

First-principles kinetic modeling in heterogeneous catalysis: an industrial perspective on best-practice, gaps and needs
Maarten K. Sabbe, Marie-Françoise Reyniers and Karsten Reuter
Catal. Sci. Technol., 2012, Advance Article
DOI: 10.1039/C2CY20261A

Also of interest may be:

A first-principles theoretical approach to heterogeneous nanocatalysis
Fabio R. Negreiros, Edoardo Aprà, Giovanni Barcaro, Luca Sementa, Stefan Vajda and Alessandro Fortunelli
Nanoscale, 2012, 4, 1208–1219
DOI: 10.1039/C1NR11051A

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Asymmetric synthesis of chiral nonsteroidal anti-inflammatory drugs (NSAIDs)

23 Jul 2012

Advanced asymmetric synthesis of chiral nonsteroidal anti-inflammatory drugs

In this HOT article, Shiina and co-workers extend their previous work to describe a Dynamic Kinetic Resolution (DKR) of 2-arylpropionic acids, which are used widely as drugs. By careful study and optimization of the reaction conditions the DKR protocol was found to be applicable to a wide range of substrates and the preparation of (S)-ibuprofen is given as an example.

Read more for FREE about this exciting new protocol at:

Non-enzymatic dynamic kinetic resolution of racemic α-arylalkanoic acids: an advanced asymmetric synthesis of chiral nonsteroidal anti-inflammatory drugs (NSAIDs)
Isamu Shiina, Keisuke Ono and Kenya Nakata
Catal. Sci. Technol., 2012, Advance Article
DOI: 10.1039/C2CY20329D

Also of interest:

(R)-(+)-N-Methylbenzoguanidine ((R)-NMBG) catalyzed kinetic resolution of racemic secondary benzylic alcohols with free carboxylic acids by asymmetric esterification
Kenya Nakata and Isamu Shiina
Org. Biomol. Chem., 2011, 9, 7092-7096
DOI: 10.1039/C1OB05736G

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