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

International audienceOrganometallic complexes assocd. with an appropriate choice of ancillary ligands reveal to have a wide range of phys. properties leading to promising applications when incorporated in nano-size devices. The challenge is to design innovative multifunctional compds. based on redox active carbon-rich organometallics assocd. 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 theor. investigations based on quantum mechanics tools have a crucial role in rationalizing and in helping designing systems possessing target properties. (c) 2015 American Institute of Physics