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SOLARACT

Solar Dinitrogen Activation

Total Cost €

0

EC-Contrib. €

0

Partnership

0

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 SOLARACT project word cloud

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

n2    qualified    photoactivation    theoretical    cross    ab    rationalized    presentation    emerge    engagement    linear    scientific    skills    enhanced    principles    workshop    catalysts    unravel    transition    structures    abundant    first    activation    photocleavage    interdisciplinary    sustainable    nh3    dynamical    network    fundamental    electronic    cheap    sectorial    bond    proficiency    efficient    spectroscopy       researcher    systematic    industry    molecular    added    photolytic    quantum    push    fuel    networks    excited    mediate    host    dinitrogen    formulated    independent    dynamic    cleavage    complexes    chemistry    static    silico    inducing    experiences    culminating    computational    resource    initio    light    solaract    optimal    photochemical    molecule    transfer    group    synthesize    dimeric    synthetic    simulations    profile    competitive    boundaries    teaching    gain    solar    metal    examples    career    multiconfigurational    dynamics    breadth    demanding    proof    chemical    expertise    public    variations    excitation    combination   

Project "SOLARACT" data sheet

The following table provides information about the project.

Coordinator
UNIVERSITAT WIEN 

Organization address
address: UNIVERSITATSRING 1
city: WIEN
postcode: 1010
website: www.univie.ac.at

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 Austria [AT]
 Project website http://theochem.univie.ac.at/solaract/
 Total cost 166˙156 €
 EC max contribution 166˙156 € (100%)
 Programme 1. H2020-EU.1.3.2. (Nurturing excellence by means of cross-border and cross-sector mobility)
 Code Call H2020-MSCA-IF-2015
 Funding Scheme MSCA-IF-EF-ST
 Starting year 2016
 Duration (year-month-day) from 2016-04-01   to  2018-03-31

 Partnership

Take a look of project's partnership.

# participants  country  role  EC contrib. [€] 
1    UNIVERSITAT WIEN AT (WIEN) coordinator 166˙156.00

Map

 Project objective

SolarAct aims at a fundamental theoretical understanding of transition metal catalysts that mediate the photochemical bond cleavage of the dinitrogen molecule.

The efficient activation of dinitrogen (N2) as an abundant and thus very cheap resource is a promising target for the development of sustainable chemistry, e.g. to produce NH3 as a “solar fuel” or synthesize value-added products relevant for chemical industry. A new approach in N2 activation is the photolytic N-N bond cleavage in linear M-N-N-M complexes, for which five synthetic examples are known. However, the dynamical processes inducing N-N cleavage in these complexes after light excitation are not understood at a molecular level.

SolarAct is the first research project to unravel the working principles of the existing N2 photoactivation catalysts using a combination of ab initio excited state dynamics simulations and multiconfigurational quantum chemistry methods. The project will push the boundaries of excited state dynamics simulations and provide a proof of principle for their application to dimeric transition metal complexes with demanding electronic structures. The key requirements for N2 photocleavage will be rationalized by systematic in silico variations of the known systems, culminating in improved N2 photoactivation catalysts according to a design target formulated for SolarAct.

The researcher will transfer expertise in computational transition metal chemistry and theoretical spectroscopy to the host group and will gain expertise in novel methods for static and dynamic chemistry problems. A cross-sectorial and interdisciplinary workshop will increase the researcher's and host's networks. The researcher will emerge from SolarAct fully qualified for an independent career, including a unique, highly competitive research profile, enhanced presentation proficiency, optimal teaching and management skills, a wide scientific network and a breadth of dissemination and public engagement experiences.

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The information about "SOLARACT" are provided by the European Opendata Portal: CORDIS opendata.

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