Featured Research

from universities, journals, and other organizations

Watching catalysts at work at the atomic scale

Date:
July 25, 2013
Source:
Helmholtz Association of German Research Centres
Summary:
Developing materials with novel catalytic properties is one of the most important tasks in energy research. It is especially important to understand the dynamic processes involved in catalysis at the atomic scale, such as the formation and breaking of chemical bonds as well as ligand exchange mechanism.

Fundamental processes: Charge donation/backdonation in the [Fe(CO)5] model catalyst in solution was studiedby resonant inelastic X-ray scattering. This method can be used to selectively probe the electronic structure at each atom in the iron-carbonyl bond. Image:
Credit: Image courtesy of Helmholtz Association of German Research Centres

Developing materials with novel catalytic properties is one of the most important tasks in energy research. It is especially important to understand the dynamic processes involved in catalysis at the atomic scale, such as the formation and breaking of chemical bonds as well as ligand exchange mechanism. Scientists of Helmholtz-Zentrum Berlin (HZB) and collaborators have now combined the spectroscopic method "RIXS" with so-called ab initio theory in order to describe these processes in detail for a model organometallic catalyst of great interest to catalysis research -- the iron carbonyl complex.

Related Articles


The team publishes its results today in the scientific journal Angewandte Chemie International Edition.

Iron carbonyl complexes are used in a large number of chemical reactions and industrial processes, such as light-induced water reduction or catalytic carbon monoxide removal from exhaust gases. Their catalytic activity is a result of rapid formation and subsequent breaking of chemical bonds between the metal centre and the carbonyl ligands. "It is essential for us to be able to determine the strength of orbital mixing at the chemical bond by directly probing the metal centres and the ligands," says Prof. Dr. Emad Flear Aziz, head of the HZB junior research group 'Structure and Dynamics of Functional Materials'. Until recently, has not been possible to apply these studies in homogeneous catalysis which take place in solution. The development of the new "LiXEdrom" experimental station, here at HZB, which is equipped with the micro-jet technique has enabled RIXS (resonant inelastic X-ray scattering) experiments on functional materials under in-situ conditions.

In collaboration with scientists from various universities, Aziz's team has now successfully studied both the metal and the ligands under real conditions in which this particular catalysis takes place (in situ), using RIXS spectroscopy at HZB's electron storage ring BESSY II. They discovered a very strong orbital mixing between the metal and its ligands, which led to a weakening and elongation of the chemical bond during RIXS excitation. The experimental results were supported by theoretical ab initio methods by the University of Rostock. "With this new method combination, we have gained fundamental insights into the electronic structure of iron carbonyl complexes under catalysis-relevant conditions," Aziz reports. "Our approach can help provide a better understanding of reaction dynamics and metal-ligand-solvent interactions on very short time scales. This leads to better control of catalytic properties -- and holds great potential for the production of novel catalytically active materials."


Story Source:

The above story is based on materials provided by Helmholtz Association of German Research Centres. Note: Materials may be edited for content and length.


Journal Reference:

  1. Edlira Suljoti, Raul Garcia-Diez, Sergey I. Bokarev, Kathrin M. Lange, Roland Schoch, Brian Dierker, Marcus Dantz, Kenji Yamamoto, Nicholas Engel, Kaan Atak, Oliver Kühn, Matthias Bauer, Jan-Erik Rubensson, Emad F. Aziz. Direct Observation of Molecular Orbital Mixing in a Solvated Organometallic Complex. Angewandte Chemie International Edition, 2013; DOI: 10.1002/anie.201303310

Cite This Page:

Helmholtz Association of German Research Centres. "Watching catalysts at work at the atomic scale." ScienceDaily. ScienceDaily, 25 July 2013. <www.sciencedaily.com/releases/2013/07/130725104853.htm>.
Helmholtz Association of German Research Centres. (2013, July 25). Watching catalysts at work at the atomic scale. ScienceDaily. Retrieved December 21, 2014 from www.sciencedaily.com/releases/2013/07/130725104853.htm
Helmholtz Association of German Research Centres. "Watching catalysts at work at the atomic scale." ScienceDaily. www.sciencedaily.com/releases/2013/07/130725104853.htm (accessed December 21, 2014).

Share This


More From ScienceDaily



More Matter & Energy News

Sunday, December 21, 2014

Featured Research

from universities, journals, and other organizations


Featured Videos

from AP, Reuters, AFP, and other news services

Touch-Free Smart Phone Empowers Mobility-Impaired

Touch-Free Smart Phone Empowers Mobility-Impaired

Reuters - Innovations Video Online (Dec. 21, 2014) — A touch-free phone developed in Israel enables the mobility-impaired to operate smart phones with just a movement of the head. Suzannah Butcher reports. Video provided by Reuters
Powered by NewsLook.com
Building Google Into Cars

Building Google Into Cars

Reuters - Business Video Online (Dec. 19, 2014) — Google's next Android version could become the standard that'll power your vehicle's entertainment and navigation features, Reuters has learned. Fred Katayama reports. Video provided by Reuters
Powered by NewsLook.com
AP Review: Nikon D750 and GoPro Hero 4

AP Review: Nikon D750 and GoPro Hero 4

AP (Dec. 19, 2014) — What to buy an experienced photographer or video shooter? There is some strong gear on the market from Nikon and GoPro. The AP's Ron Harris takes a closer look. (Dec. 19) Video provided by AP
Powered by NewsLook.com
Obama: Better Ways to Create Jobs Than Keystone Pipeline

Obama: Better Ways to Create Jobs Than Keystone Pipeline

AFP (Dec. 19, 2014) — US President Barack Obama says that construction of the Keystone pipeline would have 'very little impact' on US gas prices and believes there are 'more direct ways' to create construction jobs. Duration: 00:47 Video provided by AFP
Powered by NewsLook.com

Search ScienceDaily

Number of stories in archives: 140,361

Find with keyword(s):
 
Enter a keyword or phrase to search ScienceDaily for related topics and research stories.

Save/Print:
Share:  

Breaking News:

Strange & Offbeat Stories

 

Space & Time

Matter & Energy

Computers & Math

In Other News

... from NewsDaily.com

Science News

Health News

Environment News

Technology News



Save/Print:
Share:  

Free Subscriptions


Get the latest science news with ScienceDaily's free email newsletters, updated daily and weekly. Or view hourly updated newsfeeds in your RSS reader:

Get Social & Mobile


Keep up to date with the latest news from ScienceDaily via social networks and mobile apps:

Have Feedback?


Tell us what you think of ScienceDaily -- we welcome both positive and negative comments. Have any problems using the site? Questions?
Mobile iPhone Android Web
Follow Facebook Twitter Google+
Subscribe RSS Feeds Email Newsletters
Latest Headlines Health & Medicine Mind & Brain Space & Time Matter & Energy Computers & Math Plants & Animals Earth & Climate Fossils & Ruins