RDC@CATALYSIS

Structure and dynamics of catalytically active species from Residual Dipolar Couplings

 Coordinatore TECHNISCHE UNIVERSITAET DARMSTADT 

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 Nazionalità Coordinatore Germany [DE]
 Totale costo 1˙498˙200 €
 EC contributo 1˙498˙200 €
 Programma FP7-IDEAS-ERC
Specific programme: "Ideas" implementing the Seventh Framework Programme of the European Community for research, technological development and demonstration activities (2007 to 2013)
 Code Call ERC-2010-StG_20091028
 Funding Scheme ERC-SG
 Anno di inizio 2010
 Periodo (anno-mese-giorno) 2010-11-01   -   2016-04-30

 Partecipanti

# participant  country  role  EC contrib. [€] 
1    TECHNISCHE UNIVERSITAET DARMSTADT

 Organization address address: Karolinenplatz 5
city: DARMSTADT
postcode: 64289

contact info
Titolo: Dr.
Nome: Melanie
Cognome: Meermann-Zimmermann
Email: send email
Telefono: +49 6151 16 57225
Fax: +49 6151 16 57204

DE (DARMSTADT) hostInstitution 1˙498˙200.00
2    TECHNISCHE UNIVERSITAET DARMSTADT

 Organization address address: Karolinenplatz 5
city: DARMSTADT
postcode: 64289

contact info
Titolo: Prof.
Nome: Christina Marie
Cognome: Thiele
Email: send email
Telefono: +49 6151 165112
Fax: +49 6151 165531

DE (DARMSTADT) hostInstitution 1˙498˙200.00

Mappa


 Word cloud

Esplora la "nuvola delle parole (Word Cloud) per avere un'idea di massima del progetto.

structure    rdcs    species    dynamics    catalysts    accessible    structural    catalytically    chemistry    active    catalyst    solution    nmr   

 Obiettivo del progetto (Objective)

'The main goal of chemistry and material science is to create structures, which in turn exhibit specific functions. One class of functional molecules are catalysts. Although homogeneous catalysts are widely used in synthetic chemistry, there is very limited knowledge about the relationship between their activity and their structure and especially dynamics in solution. Based on a first investigation, in which we showed that only after investigating the structural and dynamic properties of a photoswitchable organocatalyst using residual dipolar couplings (RDCs), its reactivity could be understood, it shall be demonstrated within this project, that additional and more accurate structural information on catalytically active species is accessible from RDCs leading to an improved understanding of catalysis. This will finally allow rational catalyst design. The structure in solution and information about solution dynamics is usually obtained from solution state NMR spectroscopy. In contrast to the short-range structural information obtained from the conventional NMR parameters the information obtained from the recently introduced RDCs is global, which allows the relation of non-interacting parts of compounds. RDCs furthermore contain information on dynamics of the system investigated. Especially the time scale on motional information that is accessible is intriguing. With this unique quality of structural information from RDCs in hand, precise structural models for catalytically active species can be constructed. This will certainly lead to a better understanding of catalytic processes and in the end revolutionize catalyst design.'

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