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Title: Molecular switches in carbon-rich organometallic compounds: Theoretical aspects

Organometallic complexes associated with an appropriate choice of ancillary ligands reveal to have a wide range of physical properties leading to promising applications when incorporated in nano-size devices. The challenge is to design innovative multifunctional compounds based on redox active carbon-rich organometallics associated with spin carriers and/or photochromic units. A multidisciplinary approach in this area has proved to be efficient in a series a systems combining carbon-rich bridging ligands and redox metallic moieties. In this domain, the role of theoretical investigations based on quantum mechanics tools have a crucial role in rationalizing and in helping designing systems possessing target properties.
Authors:
 [1]
  1. Sciences chimiques de Rennes, UMR 6226 CNRS - Université de Rennes 1, Avenue du Général Leclerc F-35042 Rennes (France)
Publication Date:
OSTI Identifier:
22390925
Resource Type:
Journal Article
Resource Relation:
Journal Name: AIP Conference Proceedings; Journal Volume: 1642; Journal Issue: 1; Conference: ICCMSE-2010: International Conference of Computational Methods in Sciences and Engineering 2010, Kos (Greece), 3-8 Oct 2010; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; CARBON; DESIGN; LIGANDS; NANOSTRUCTURES; ORGANOMETALLIC COMPOUNDS; PHYSICAL PROPERTIES; QUANTUM MECHANICS; REDOX PROCESS; SPIN; SWITCHES