KOPS - The Institutional Repository of the University of Konstanz

DFT modeling of Spectral and Redox Properties of Di-and Tetranuclear Ruthenium Transition Metal Complexes with Bridging Ligands

DFT modeling of Spectral and Redox Properties of Di-and Tetranuclear Ruthenium Transition Metal Complexes with Bridging Ligands

Cite This

Files in this item

Files Size Format View

There are no files associated with this item.

WINTER, Rainer, Michael LINSEIS, Stanislav ZÁLIS, Wolfgang KAIM, Biprajit SARKAR, Irena KRATOCHVÍLOVÁ, 2009. DFT modeling of Spectral and Redox Properties of Di-and Tetranuclear Ruthenium Transition Metal Complexes with Bridging Ligands. COMPUTATIONAL METHODS IN SCIENCE AND ENGINEERING: Advances in Computational Science: Lectures presented at the International Conference on Computational Methods in Sciences and Engineering 2008 (ICCMSE 2008). Hersonissos, Crete (Greece). In: AIP Conference Proceedings. AIP, pp. 289-291. Available under: doi: 10.1063/1.3225297

@inproceedings{Winter2009model-13872, title={DFT modeling of Spectral and Redox Properties of Di-and Tetranuclear Ruthenium Transition Metal Complexes with Bridging Ligands}, year={2009}, doi={10.1063/1.3225297}, publisher={AIP}, booktitle={AIP Conference Proceedings}, pages={289--291}, author={Winter, Rainer and Linseis, Michael and Zális, Stanislav and Kaim, Wolfgang and Sarkar, Biprajit and Kratochvílová, Irena} }

<rdf:RDF xmlns:dcterms="http://purl.org/dc/terms/" xmlns:dc="http://purl.org/dc/elements/1.1/" xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:bibo="http://purl.org/ontology/bibo/" xmlns:dspace="http://digital-repositories.org/ontologies/dspace/0.1.0#" xmlns:foaf="http://xmlns.com/foaf/0.1/" xmlns:void="http://rdfs.org/ns/void#" xmlns:xsd="http://www.w3.org/2001/XMLSchema#" > <rdf:Description rdf:about="https://kops.uni-konstanz.de/rdf/resource/123456789/13872"> <void:sparqlEndpoint rdf:resource="http://localhost/fuseki/dspace/sparql"/> <dc:contributor>Winter, Rainer</dc:contributor> <dc:creator>Kaim, Wolfgang</dc:creator> <dc:contributor>Zális, Stanislav</dc:contributor> <dc:creator>Kratochvílová, Irena</dc:creator> <dcterms:available rdf:datatype="http://www.w3.org/2001/XMLSchema#dateTime">2011-06-29T08:53:49Z</dcterms:available> <bibo:uri rdf:resource="http://kops.uni-konstanz.de/handle/123456789/13872"/> <dc:creator>Linseis, Michael</dc:creator> <dcterms:title>DFT modeling of Spectral and Redox Properties of Di-and Tetranuclear Ruthenium Transition Metal Complexes with Bridging Ligands</dcterms:title> <dc:date rdf:datatype="http://www.w3.org/2001/XMLSchema#dateTime">2011-06-29T08:53:49Z</dc:date> <dc:creator>Sarkar, Biprajit</dc:creator> <dcterms:rights rdf:resource="https://rightsstatements.org/page/InC/1.0/"/> <dc:language>eng</dc:language> <dc:contributor>Kaim, Wolfgang</dc:contributor> <dc:contributor>Linseis, Michael</dc:contributor> <dcterms:abstract xml:lang="eng">The electronic structures of di-and tetranuclear transition metal complexes with bridging ligands (tetracyanoethene, tetracyano-p-quinodimethane, divinylphenylene and tetrakis(4-styryl)ethene) were calculated by density functional (DFT) method. DFT method was used for calculations of IR frequencies in different oxidation states and EPR parameters of radical ions. The observed electronic transitions of closed shell systems were assigned by TD DFT. The different aspects of bridge mediated metal-metal interaction are discussed. ©2009 American Institute of Physics</dcterms:abstract> <foaf:homepage rdf:resource="http://localhost:8080/jspui"/> <dc:rights>terms-of-use</dc:rights> <dcterms:issued>2009</dcterms:issued> <dspace:isPartOfCollection rdf:resource="https://kops.uni-konstanz.de/rdf/resource/123456789/29"/> <dc:creator>Zális, Stanislav</dc:creator> <dcterms:bibliographicCitation>First publ. in: AIP Conference Proceedings 1148 (2009), pp. 289-291</dcterms:bibliographicCitation> <dc:creator>Winter, Rainer</dc:creator> <dcterms:isPartOf rdf:resource="https://kops.uni-konstanz.de/rdf/resource/123456789/29"/> <dc:contributor>Kratochvílová, Irena</dc:contributor> <dc:contributor>Sarkar, Biprajit</dc:contributor> </rdf:Description> </rdf:RDF>

This item appears in the following Collection(s)

Search KOPS


Browse

My Account