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Title: Design and Synthesis of NLO Efficient Organometallic Molecules
Authors: Mendes, Paulo
Garcia, Maria H.
Silva, Tiago J.L.
Florindo, Pedro
Editors: Simos, TE
Maroulis, G
Keywords: half-sandwich complexes
Non Linear Optics
ruthenium (II); iron(II)
first hyperpolarizability
Issue Date: 2015
Publisher: AIP Conference Proceedings
Citation: Helena 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) 514-517
Abstract: Second-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.
Type: article
Appears in Collections:QUI - Artigos em Livros de Actas/Proceedings
CQE - Artigos em Livros de Actas/Proceedings

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