C-Fe chains due to segregated carbon impurities on Fe(1 0 0)

Bulk carbon impurities segregate at the Fe(1 0 0) surface and, upon thermal annealing, can form metastable surface phases with local and long range order and peculiar electronic properties. We present a surface science study of C-segregated Fe(1 0 0) with scanning tunneling microscopy, angle resolved photoemission, and ab initio calculations of the surface structure and electron states. In particular the c(3√2 × √2) structure, observed for 0.67 atomic layers of C segregated at the iron surface, is found to be due to self-organized carbon stripes made of zig-zag chains. The strong hybridization between C and Fe was observed in ARPES spectra.     

Laser nanosources based on planar photonic crystals as new platforms for nanophotonic devices

Two-dimensional photonic crystal lasers have been fabricated on III–V semiconductor slabs. Tuning of the spontaneous emission in micro and nanocavities has been achieved by accurate control of the slab thickness. Different structures, some of them of new application to photonic crystal lasers, have been fabricated like the Suzuki-phase or the coupled-cavity ring-like resonators. Laser emission has been obtained by pulsed optical pumping. Optical characterization of the lasing modes have been performed showing one or more laser peaks centred around 1.55 μm. Far field characterization of the emission pattern has been realized showing different patterns depending on the geometrical shape of the structures. These kinds of devices may be used as efficient nanolaser sources for optical communications or optical sensors.     

Ab initio X-ray powder diffraction characterisation of molecule-based magnetic materials

Use of ab initio X-ray powder diffraction (XRPD) methods in the study of magnetically active species of covalent nature is presented. Selected cases are chosen in order to underline the power of XRPD methodologies, highlighting the importance of independent physico-chemical information from ancillary techniques.     

Circular dichroism and theoretical studies on the inclusion of the antimalarian drug Licochalcone-A in β-cyclodextrin

The Induced Circular Dichroism of the complex formed by inclusion of Licochalcone-A (a powerful antimalarian of natural origin) and β-cyclodextrin was measured and calculated. The association constant was determined by titration experiments of ICD and fluorescence. The lowest energy conformations of the complex were obtained through docking procedures and their Circular Dichroism was evaluated within the Tinoco framework. The geometry of the complex was found to be consistent with the main experimental features.     

2H NMR spectra of 2-(p-heptylbenzoyloxy)-5-(p-heptylbenzenazo)tropone. A new sigmatropic liquid crystal

Liquid crystals incorporating in their molecular framework a seven-membered ring are still relatively rare [1]. Recently the synthesis and thermal behaviour of a series of liquid crystal materials having a tropone moiety in their mesogenic core have been reported [2-4]. These mesogens, based on a 2-(acyloxy)tropone core structure, show intramolecular migration of the acyl substituents between the two oxygen atoms at C-1 and C-2, an effect already known for simple 2-(acyloxy)tropones in their isotropic solutions [5]. This migration involves a concerted [1, 9]-sigmatropic rearrangement [2]. This rearrangement could play a major role in determining the properties of the mesophases: it has been suggested in fact that, because of this rearrangement, the mesogenic molecules acquire a mean rod-like shape which can sustain the mesophase formation [2].     

Synthesis and spectroscopic properties of highly water-soluble perylene derivatives

Most known perylene diimides are lipophilic, with few exceptions of hydrophilic derivatives. Even in the latter case, the compounds have limited water solubility and show a strong tendency to self-aggregation. In this paper we present the synthesis of four new perylene derivatives with three and four basic side chains, obtained by functionalizing the bay-area of perylene. These molecules show great solubility in aqueous media as hydrochlorides and their tendency to self-aggregate is remarkably reduced with respect to the previously synthesized two-chained perylene diimides. Their different spectroscopic properties in various solvents and conditions are reported and discussed.     

2-(2-Hydroxyaryl)cinnamic amides: a new class of axially chiral molecules

The syntheses of several differently substituted amides formally derived from a chiral amine, either E-2-(2-hydroxyphenyl)cinnamic acid or both E- and Z-2-(2-hydroxynaphthyl)cinnamic acid, are reported. These molecules display a restricted rotation about the C₂-C_aryl bond. The barriers to rotation about the C₂-C_aryl bond were measured by the dynamic ¹H NMR and were found to vary between 11.8 and 24.5 kcal mol⁻¹, depending on the substitution. In particular, E-2-(2-hydroxynapthyl)cinnamic amides, displayed a high barrier to rotation (ΔG_c^‡=24.4 kcal mol⁻¹) and could be isolated in both diastereomerically pure forms at room temperature. The X-ray structure of one E-2-(2-hydroxynapthyl)cinnamic amide, was resolved, enabling for the determination of the absolute configuration of the chiral axis (aR).