New one-dimensional (1D) hybrid nanosystems are elaborated with metalated or metal free phthalocyanine molecules encapsulated into the hollow core of single-walled carbon nanotubes. The X-ray diffraction experiments coupled to simulation allow evidencing the 1D structural organization of the molecules inside the nanotubes. The angle between the molecule ring and the nanotube axis is close to 32° as determined from our density functional theory calculations. Confined molecules display Raman spectra hardly altered with respect to the bulk phase, suggesting a rather weak interaction with the tubes. For comparison, noncovalent functionalization at the outer surface of the tube is also investigated. The vibrational properties of the molecules functionalized at the outer surface of tubes display important modifications. A significant curvature of the phthalocyanine is induced by the interaction with the tube walls, leading to change of the central atom position within the molecular ring, in good agreement with our first-principles calculations.

Confinement of conducting oligomers inside single-walled carbon nanotubes : simulation of the vibrational dynamics

Simulation of the encapsulation of photoactive molecules inside carbon nanotubes

Simulation of hybrid systems : nanotubes-photoactive molecules

We report an experimental study on the confinement of oligothiophene derivatives into single-walled carbon nanotubes over a large range of diameter (from 0.68 to 1.93 nm). We evidence by means of Raman spectroscopy and transmission electron microscopy that the supramolecular organizations of the confined oligothiophenes depend on the nanocontainer size. The Raman Radial Breathing Mode frequency is shown to be monitored by both the number of confined molecules into a nanotube section and the competition between oligothiophene/oligothiophene and oligothiophene/tube wall interactions. We finally propose simple Raman criteria to characterize oligothiophene supramolecular organization at the nanoscale.

During the past years, considerable interest has been focused on materials that exhibit potential applications as luminescent solar concentrators (LSCs). Indeed, the incorporation of trivalent lanthanide ion (Ln3+) complexes in organic-inorganic coatings enables the down-shifting of the UV radiationinto light that can be efficiently trapped inside the substrate and guided to the edges by total internal reflection where it can be efficiently collected by a solar cell [2]. In this communication, we will present two new precursors based on ethane tetracarboxamide and ethane dicarboxamide fragments P4 (Figure 1 (a)) and P2 (Figure 1 (b)), and their conversion into luminescent hybrid materials by the sol-gel process in the presence of Eu3+ salts (EuCl36H2O) and ligand 2-thienoyltrifluoracetone (tta) (Eu3+/tta molar ratio of 1:2). The organic-inorganic hybrid materials (P4(Eu3+/tta) and P2(Eu3+/tta)) were processed as free standing films by solvent casting. They display maximum emission quantum yield () values of 0.22 and 0.48, respectively, under excitation at 320 nm. In addition, P4(Eu3+/tta) was processed by spin-coating on glass substrates, yielding films (P4-F(Eu3+/tta) with controlled thickness of 75 nm. Under UV irradiation the films display a bright red emission ascribed to the intra-4f6 Eu3+ transitions, as illustrated in Figure 1(c) and a remarkable  value of 0.60 under excitation at 345 nm.