Phototauntomerism of o-nitrobenzyl compounds: o-quinonoid aci-nitro species studied by matrix isolation and DFT calculations

Photolyses of 2-nitrobenzyl methyl ether and 2-nitrotoluene with 254 nm light have been investigated in Ar and N2 matrices at 12 K, and have been found to give o-quinonoid aci-nitro species as the primary photoproducts, along with other products. The o-quinonoid species have UV absorptions at relatively long wavelengths (λmax at 385–430 nm) and undergo facile secondary photolysis when irradiated in these absorption bands. By means of this selective photolysis, fairly complete IR spectra of the o-quinonoids have been obtained. Comparison of the matrix IR spectra of these species with simulated spectra computed using density functional theory (DFT) has confirmed the identity of these reactive intermediates. Moreover, detailed analysis of the fit between the computed and experimental IR spectra has allowed the specific stereoisomers generated to be identified with reasonable confidence. Computations have also been made of the relative energies of the starting compounds, intermediate o-quinonoid isomers and the possible secondary products, together with the transition states connecting them. The results of these computations indicate that the observed stereoisomer of each of the o-quinonoid species cannot arise by photoinduced H-atom transfer followed by isomerizations on the electronic ground-state surfaces, since the energy barriers for reversion to starting compounds are substantially lower than those for the necessary isomerizations. It is therefore concluded that H-atom transfer and conformational interconversion occur in an electronic excited state

Commercial-off-the-shelf simulation package interoperability: Issues and futures

Commercial-Off-The-Shelf Simulation Packages (CSPs) are widely used in industry to simulate discrete-event models. Interoperability of CSPs requires the use of distributed simulation techniques. Literature presents us with many examples of achieving CSP interoperability using bespoke solutions. However, for the wider adoption of CSP-based distributed simulation it is essential that, first and foremost, a standard for CSP interoperability be created, and secondly, these standards are adhered to by the CSP vendors. This advanced tutorial is on an emerging standard relating to CSP interoperability. It gives an overview of this standard and presents case studies that implement some of the proposed standards. Furthermore, interoperability is discussed in relation to large and complex models developed using CSPs that require large amount of computing resources. It is hoped that this tutorial will inform the simulation community of the issues associated with CSP interoperability, the importance of these standards and its future

Tethered subsatellite study

The results are presented of studies performed relating to the feasibility of deploying a subsatellite from the shuttle by means of a tether. The dynamics, the control laws, the aerodynamics, the heating, and some communication considerations of the tethered subsatellite system are considered. Nothing was found that prohibits the use of a subsatellite joined to the shuttle by a long (100 km) tether. More detailed studies directed at specific applications are recommended

A Keplerian Disk around the Herbig Ae star HD169142

We present Submillimeter Array observations of the Herbig Ae star HD169142 in 1.3 millimeter continuum emission and 12CO J=2-1 line emission at 1.5 arcsecond resolution that reveal a circumstellar disk. The continuum emission is centered on the star position and resolved, and provides a mass estimate of about 0.02 solar masses for the disk. The CO images show patterns in position and velocity that are well matched by a disk in Keplerian rotation with low inclination to the line-of-sight. We use radiative transfer calculations based on a flared, passive disk model to constrain the disk parameters by comparison to the spectral line emission. The derived disk radius is 235 AU, and the inclination is 13 degrees. The model also necessitates modest depletion of the CO molecules, similar to that found in Keplerian disks around T Tauri stars.Comment: 10 pages, 2 figures, accepted by A

Discovery of Reflection Nebulosity Around Five Vega-like Stars

Coronagraphic optical observations of six Vega-like stars reveal reflection nebulosities, five of which were previously unknown. The nebulosities illuminated by HD 4881, HD 23362, HD 23680, HD 26676, and HD 49662 resemble that of the Pleiades, indicating an interstellar origin for dust grains. The reflection nebulosity around HD 123160 has a double-arm morphology, but no disk-like feature is seen as close as 2.5 arcsec from the star in K-band adaptive optics data. We demonstrate that uniform density dust clouds surrounding HD 23362, HD 23680 and HD 123160 can account for the observed 12-100 micron spectral energy distributions. For HD 4881, HD 26676, and HD 49662 an additional emission source, such as from a circumstellar disk or non-equilibrium grain heating, is required to fit the 12-25 micron data. These results indicate that in some cases, particularly for Vega-like stars located beyond the Local Bubble (>100 pc), the dust responsible for excess thermal emission may originate from the interstellar medium rather than from a planetary debris system.Comment: The Astrophysical Journal, in press for March, 2002 (32 pages, 13 figures