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FASTO-CAT SIGNED

Fundamentals of ASymmeTric Organo-CATalysis

Total Cost €

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EC-Contrib. €

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Partnership

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 FASTO-CAT project word cloud

Explore the words cloud of the FASTO-CAT project. It provides you a very rough idea of what is the project "FASTO-CAT" about.

initiate    relationships    enantiomeric    spectroscopic    environmental    experimentally    quantum    femtoseconds    substrate    catalytic    ranging    steric    details    reaction    dependent    asymmetric    found    optimization    molecular    employ    function    interaction    ingredients    techniques    remained    decisive    combination    induce    rationale    elusive    last    timescales    structure    dielectric    free    color    isolating    chemical    binding    catalysis    benign    catalysts    nmr    chirality    decades    correlation    exact    excess    little    attraction    vibrational    ultrafast    fundamental    intermediates    heart    virtually    dimensional    remarkably    quantify    lie    spectroscopy    enzymes    rational    stereocontrol    trial    routes    spectroscopies    emerged    organo    probed    consequently    calculations    nature    excesses    despite    seconds    repulsion    unprecedented    interactions    lifetime    biologically    motifs    optimize    alternative    transition    yield    catalyst    error    infrared    for    conventional    intermediate    molecules    insights    strength    metal    geometry   

Project "FASTO-CAT" data sheet

The following table provides information about the project.

Coordinator
MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN EV 

Organization address
address: HOFGARTENSTRASSE 8
city: Munich
postcode: 80539
website: www.mpg.de

contact info
title: n.a.
name: n.a.
surname: n.a.
function: n.a.
email: n.a.
telephone: n.a.
fax: n.a.

 Coordinator Country Germany [DE]
 Total cost 1˙892˙500 €
 EC max contribution 1˙892˙500 € (100%)
 Programme 1. H2020-EU.1.1. (EXCELLENT SCIENCE - European Research Council (ERC))
 Code Call ERC-2016-STG
 Funding Scheme ERC-STG
 Starting year 2017
 Duration (year-month-day) from 2017-04-01   to  2022-03-31

 Partnership

Take a look of project's partnership.

# participants  country  role  EC contrib. [€] 
1    MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN EV DE (Munich) coordinator 1˙892˙500.00

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 Project objective

For most biologically relevant molecules their chirality is decisive for their function. Within the last two decades asymmetric organo-catalysis has emerged as an environmental benign, metal-free alternative for conventional asymmetric transition metal catalysis. The organo-catalysts, which employ catalyst-substrate interaction motifs commonly found for enzymes, yield unprecedented enantiomeric excesses. Despite the success of these organo-chemical routes, remarkably little is known about the molecular details of the interaction between the catalyst and the substrate. Consequently, there is virtually no rationale method to optimize reaction conditions particularly as related to structure-function relationships. Also the exact nature of the intermediates that induce chirality has remained elusive. The aim of this proposal is to experimentally quantify the formation of reaction intermediates and the nature of intermediate induced chirality that lie at the heart of asymmetric control. This will be achieved by using a combination of advanced spectroscopic techniques. With advanced vibrational spectroscopies (ultrafast two-color and two-dimensional infrared spectroscopy), dielectric spectroscopy, and NMR spectroscopy together with quantum chemical calculations we will quantify structure-dependent interactions: binding geometry, strength of attraction, lifetime of binding, reaction intermediates, and the role of steric repulsion, probed on all timescales relevant to catalytic processes ranging from femtoseconds to seconds. Correlation of such information with the enantiomeric excess obtained in catalytic processes will allow isolating the essential ingredients for stereocontrol. Such molecular-level insights will provide fundamental parameters for optimization of reaction conditions and will initiate the transition from a trial and error approach towards a rational design of new catalytic processes.

 Publications

year authors and title journal last update
List of publications.
2019 Hunger, Johannes; Roy, Soham; Grechko, Maksim; Bonn, Mischa
Dynamics of Dicyanamide in Ionic Liquids is Dominated by Local Interactions
published pages: , ISSN: 1520-6106, DOI: 10.1021/acs.jpcb.8b10849
The Journal of Physical Chemistry. B 2 2019-10-29
2019 Amelie A.Ehrhard, Sebastian Jäger, Christian Malm, Selim Basaran, Johannes Hunger
CF3-groups critically enhance the binding of thiourea catalysts to ketones - a NMR and FT-IR study
published pages: , ISSN: 0167-7322, DOI: 10.1016/j.molliq.2019.111829
Journal of Molecular Liquids 2019-10-29
2019 Cha, S.; Marekha, B.; Wagner, M.; Hunger, J.
Hydrogen-bond structure and dynamics of TADDOL asymmetric organo‐catalysts correlate with catalytic activity
published pages: , ISSN: 0947-6539, DOI: 10.1002/chem.201901594
Chemistry A European Journal 2019-10-29
2018 Wen Jun Xie, Seoncheol Cha, Tatsuhiko Ohto, Wataru Mizukami, Yuezhi Mao, Manfred Wagner, Mischa Bonn, Johannes Hunger, Yuki Nagata
Large Hydrogen-Bond Mismatch between TMAO and Urea Promotes Their Hydrophobic Association
published pages: 2615-2627, ISSN: 2451-9294, DOI: 10.1016/j.chempr.2018.08.020
Chem 4/11 2019-04-18
2018 Vasileios Balos, Bogdan Marekha, Christian Malm, Manfred Wagner, Yuki Nagata, Mischa Bonn, Johannes Hunger
Specific Ion Effects on an Oligopeptide: Bidentate Binding Matters for the Guanidinium Cation
published pages: , ISSN: 1433-7851, DOI: 10.1002/anie.201811029
Angewandte Chemie International Edition 2019-04-18
2017 Christian Malm, Heejae Kim, Manfred Wagner, Johannes Hunger
Complexity in Acid-Base Titrations: Multimer Formation Between Phosphoric Acids and Imines
published pages: 10853-10860, ISSN: 0947-6539, DOI: 10.1002/chem.201701576
Chemistry - A European Journal 23/45 2019-04-18

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