Magnetic molecules created by hydrogenation of Polycyclic Aromatic Hydrocarbons

Present routes to produce magnetic organic-based materials adopt a common strategy: the use of magnetic species (atoms, polyradicals, etc.) as building blocks. We explore an alternative approach which consists of selective hydrogenation of Polycyclic Aromatic Hydrocarbons. Self-Consistent-Field (SCF) (Hartree-Fock and DFT) and multi-configurational (CISD and MCSCF) calculations on coronene and corannulene, both hexa-hydrogenated, show that the formation of stable high spin species is possible. The spin of the ground states is discussed in terms of the Hund rule and Lieb's theorem for bipartite lattices (alternant hydrocarbons in this case). This proposal opens a new door to magnetism in the organic world.Comment: 6 pages, 4 figures and 2 table

Fractional Aharonov-Bohm effect in mesoscopic rings

We study the effects of correlations on a one dimensional ring threaded by a uniform magnetic flux. In order to describe the interaction between particles, we work in the framework of the U $\infty$ Hubbard and $t$-$J$ models. We focus on the dilute limit. Our results suggest the posibility that the persistent current has an anomalous periodicity $\phi_{0}/p$, where $p$ is an integer in the range $2\leq p\leq N_{e}$ ($N_{e}$ is the number of particles in the ring and $\phi_{0}$ is the flux quantum). We found that this result depends neither on disorder nor on the detailed form of the interaction, while remains the on site infinite repulsion.Comment: 14 pages (Revtex), 5 postscript figures. Send e-mail to: [email protected]

Remarkable effect of [Li(G4)]TFSI solvate ionic liquid (SIL) on the regio- And stereoselective ring opening of α-gluco carbasugar 1,2-epoxides

Carba analogues of biologically relevant natural carbohydrates are promising structures for the development of future drugs endowed with enhanced hydrolytic stability. An open synthetic challenge in this field is the optimization of new methodologies for the stereo- and regioselective opening of α-gluco carbasugar 1,2-epoxides that allow for the preparation of pseudo mono- and disaccharides of great interest. Therefore, we investigated the effect of Lewis acids and solvate ionic liquids (SILs) on the epoxide ring opening of a model substrate. Of particular interest was the complete stereo- and regioselectivity, albeit limited to simple nucleophiles, toward the desired C(1) isomer that was observed using LiClO4. The results obtained with SILs were also remarkable. In particular, Li[NTf2]/tetraglyme ([Li(G4)]TFSI) was able to function as a Lewis acid and to direct the attack of the nucleophile preferentially at the pseudo anomeric position, even with a more complex and synthetically interesting nucleophile. The regioselectivity observed for LiClO4 and [Li(G4)]TFSI was tentatively ascribed to the formation of a bidentate chelating system, which changed the conformational equilibrium and ultimately permitted a trans-diaxial attack on C(1). To the best of our knowledge, we report here the first case in which SILs were successfully employed in a ring-opening process of epoxides

Air Traffic Controller Performance and Acceptability of Multiple UAS in a Simulated NAS Environment

Previously, we showed that air traffic controllers (ATCos) rated UAS pilot verbal response latencies as acceptable when a 1.5 s delay was added to the UAS pilot responses, but a 5 s delay was rated as mostly unacceptable. In the present study we determined whether a 1.5 s added delay in the UAS pilots' verbal communications would affect ATCos interactions with UAS and other conventional aircraft when the number and speed of the UAS were manipulated. Eight radar-certified ATCos participated in this simulation. The ATCos managed a medium altitude sector containing arrival aircraft, en route aircraft, and one to four UAS. The UAS were conducting a surveillance mission and flew at either a "slow" or "fast" speed. We measured both UAS and conventional pilots' verbal communication latencies, and obtained ATCos' acceptability ratings for these latencies. Although the UAS pilot response latencies were longer than those of conventional pilots, the ATCos rated UAS pilot verbal communication latencies to be as acceptable as those of conventional pilots. Because the overall traffic load within the sector was held constant, ATCos only performed slightly worse when multiple UAS were in their sector compared to when only one UAS was in the sector. Implications of these findings for UAS integration in the NAS are discussed

Residual conductance of correlated one-dimensional nanosystems: A numerical approach

We study a method to determine the residual conductance of a correlated system by means of the ground-state properties of a large ring composed of the system itself and a long non-interacting lead. The transmission probability through the interacting region and thus its residual conductance is deduced from the persistent current induced by a flux threading the ring. Density Matrix Renormalization Group techniques are employed to obtain numerical results for one-dimensional systems of interacting spinless fermions. As the flux dependence of the persistent current for such a system demonstrates, the interacting system coupled to an infinite non-interacting lead behaves as a non-interacting scatterer, but with an interaction dependent elastic transmission coefficient. The scaling to large lead sizes is discussed in detail as it constitutes a crucial step in determining the conductance. Furthermore, the method, which so far had been used at half filling, is extended to arbitrary filling and also applied to disordered interacting systems, where it is found that repulsive interaction can favor transport.Comment: 14 pages, 10 EPS figure

Chiral biobased ionic liquids with cations or anions including bile acid building blocks as chiral selectors in voltammetry

Chiral ionic liquids (CILs), or ionic liquids (ILs) with chiral additives, are very attractive chiral media for enantioselective electroanalysis, on account of their high chiral structural order at the electrochemical interphase. A family of molecular salts with CIL properties is now introduced, based on the chiral steroid building block of deoxycholic acid implemented either in the anion or cation. Testing them as chiral additives in a commercial achiral IL, they enable voltammetric discrimination of the enantiomers of a model chiral probe on disposable screen-printed electrodes in terms of peak potential differences, which is the most desirable transduction mode of the enantiorecognition event. The probe enantiomer sequence is the same for all selectors, consistent with their sharing the same chiral building block configuration. This proof-of-concept widens the application fields of bile acid derivatives as chiral selectors, while also enriching the still very few CIL families so far explored for applications in chiral electroanalysis

Capacitance spectroscopy in quantum dots: Addition spectra and decrease of tunneling rates

A theoretical study of single electron capacitance spectroscopy in quantum dots is presented. Exact diagonalizations and the unrestricted Hartree-Fock approximation have been used to shed light over some of the unresolved aspects. The addition spectra of up to 15 electrons is obtained and compared with the experiment. We show evidence for understanding the decrease of the single electron tunneling rates in terms of the behavior of the spectral weight function. (To appear in Phys. Rev. B (Rapid Comm.))Comment: 10 pages, Revtex, hard copy or PostScript Figures upon request on [email protected]

Measured Response for UAS Integration into the National Airspace System

The measured response (MR) is the response time of aircraft to Air Traffic Controller (ATCo) commands and clearances. The overall MR can be broken up into several components, including the pilot verbal latencies (MR1), the time between the end of an ATCo clearance and the beginning of the pilots read back, and the execution initiation latency (MR2), the time between the end of the ATCos clearance and when the pilot begins to execute a maneuver. The MR is a crucial concern for the integration of Unmanned Aircraft Systems (UAS) into the National Airspace System (NAS) due to potentially greater latencies stemming from remote pilot communication and command execution. As a result, it is important to quantify what latencies in verbal responding and command execution are acceptable for safe and efficient operations in the NAS. The present studies begin to address these issues in a series of four simulations supported by the UAS Integration into the NAS program

Lift devices in the flight of Archaeopteryx

Archaeopteryx has played a central role in the debates on the origins of avian (and dinosaurian) flight, even though as a flier it probably represents a relatively late stage in the beginnings of fl ight. We report on aerodynamic tests using a life-sized model of Archaeopteryx performing in a low turbulence wind tunnel. Our results indicate that tail deflection significantly decreased take-off velocity and power consumption, and that the first manual digit could have functioned as the structural precursor of the alula. Such results demonstrate that Archaeopteryx had already evolved high-lift devices, which are functional analogues of those present in today's birds