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.

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 July 22, 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 July 22, 2014).

Share This




More Matter & Energy News

Tuesday, July 22, 2014

Featured Research

from universities, journals, and other organizations


Featured Videos

from AP, Reuters, AFP, and other news services

Government Approves East Coast Oil Exploration

Government Approves East Coast Oil Exploration

AP (July 18, 2014) — The Obama administration approved the use of sonic cannons to discover deposits under the ocean floor by shooting sound waves 100 times louder than a jet engine through waters shared by endangered whales and turtles. (July 18) Video provided by AP
Powered by NewsLook.com
Sunken German U-Boat Clearly Visible For First Time

Sunken German U-Boat Clearly Visible For First Time

Newsy (July 18, 2014) — The wreckage of the German submarine U-166 has become clearly visible for the first time since it was discovered in 2001. Video provided by Newsy
Powered by NewsLook.com
Obama: U.S. Must Have "smartest Airports, Best Power Grid"

Obama: U.S. Must Have "smartest Airports, Best Power Grid"

Reuters - US Online Video (July 17, 2014) — President Barak Obama stopped by at a lunch counter in Delaware before making remarks about boosting the nation's infrastructure. Mana Rabiee reports. Video provided by Reuters
Powered by NewsLook.com
Crude Oil Prices Bounce Back After Falling Below $100 a Barrel

Crude Oil Prices Bounce Back After Falling Below $100 a Barrel

TheStreet (July 16, 2014) — Oil Futures are bouncing back after tumbling below $100 a barrel for the first time since May yesterday. Jeff Grossman is the president of BRG Brokerage and trades at the NYMEX. Grossman tells TheStreet the Middle East is always a concern for oil traders. Oil prices were pushed down in recent weeks on Libya increasing its production. Supply disruptions in Iraq fading also contributed to prices falling. News from China's economic front showing a growth for the second quarter also calmed fears on its slowdown. Jeff Grossman talks to TheStreet's Susannah Lee on this and more on the Energy Department's Energy Information Administration (EIA) report. Video provided by TheStreet
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:
from the past week

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