Design and Synthesis of NLO Efficient Organometallic Molecules

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dc.contributor.authorMendes, Paulo
dc.contributor.authorGarcia, Maria H.
dc.contributor.authorSilva, Tiago J.L.
dc.contributor.authorFlorindo, Pedro
dc.contributor.editorSimos, TE
dc.contributor.editorMaroulis, G
dc.date.accessioned2016-02-02T11:32:11Z
dc.date.available2016-02-02T11:32:11Z
dc.date.issued2015
dc.description.abstractSecond-order nonlinear optical (SO-NLO) properties of group 8 half-sandwich organometallic complexes have been intensively studied throughout the last 15 years, making this class of compounds relevant for the continuous search of NLO materials. This contribution surveys the ongoing efforts to design, characterize and optimize the NLO properties of this class of compounds. Computational studies, namely DFT calculations, were performed for several model molecules in order to predict the first hyperpolarizabilities and to support experimental evidences.por
dc.description.sponsorshipEuropean Soc Computat Methods Sci, Engn & Technolpor
dc.identifier.authoremailpjgmen@gmail.com
dc.identifier.authoremailmhgarcia@fc.ul.pt
dc.identifier.authoremailtjlsilva@gmail.com
dc.identifier.authoremailpedrorrflorindo@gmail.com
dc.identifier.citationHelena Garcia, M.; Mendes, Paulo J.; Florindo, Pedro; Silva, Tiago J.L. Design and Synthesis of NLO Efficient Organometallic Molecules. PROCEEDINGS OF THE INTERNATIONAL CONFERENCE OF COMPUTATIONAL METHODS IN SCIENCES AND ENGINEERING 2010 (ICCMSE-2010) AIP Conference Proceedings, 1642 (2015) 514-517por
dc.identifier.doi10.1063/1.4906731por
dc.identifier.scientificarea307por
dc.identifier.sharewithDQUIpor
dc.identifier.urihttp://scitation.aip.org/content/aip/proceeding/aipcp/10.1063/1.4906731
dc.identifier.urihttp://hdl.handle.net/10174/17207
dc.language.isoengpor
dc.peerreviewedyespor
dc.publisherAIP Conference Proceedingspor
dc.rightsopenAccesspor
dc.subjecthalf-sandwich complexespor
dc.subjectOrganometallicspor
dc.subjectNon Linear Opticspor
dc.subjectruthenium (II); iron(II)por
dc.subjectfirst hyperpolarizabilitypor
dc.titleDesign and Synthesis of NLO Efficient Organometallic Moleculespor
dc.typearticlepor
degois.publication.firstPage514por
degois.publication.lastPage517por
degois.publication.locationKos, GREECEpor
degois.publication.titleAIP Conference Proceedings-PROCEEDINGS OF THE INTERNATIONAL CONFERENCE OF COMPUTATIONAL METHODS IN SCIENCES AND ENGINEERING 2010 (ICCMSE-2010)por
degois.publication.volume1642por

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