Quantification of Noncovalent Interactions in Azide–Pnictogen, –Chalcogen,and –Halogen Contacts

The noncovalent interactions between azides and oxygen-containing moieties are investigated through a computational study based on experimental findings. The targeted synthesis of organic compounds with close intramolecular azide–oxygen contacts yielded six new representatives, for which X-ray structures were determined. Two of those compounds were investigated with respect to their potential conformations in the gas phase and a possible significantly shorter azide–oxygen contact. Furthermore, a set of 44 high-quality, gas-phase computational model systems with intermolecular azide–pnictogen (N, P, As, Sb), –chalcogen (O, S, Se, Te), and –halogen (F, Cl, Br, I) contacts are compiled and investigated through semiempirical quantum mechanical methods, density functional approximations, and wave function theory. A local energy decomposition (LED) analysis is applied to study the nature of the noncovalent interaction. The special role of electrostatic and London dispersion interactions is discussed in detail. London dispersion is identified as a dominant factor of the azide–donor interaction with mean London dispersion energy-interaction energy ratios of 1.3. Electrostatic contributions enhance the azide–donor coordination motif. The association energies range from −1.00 to −5.5 kcal mol⁻¹.     

Laser ablation of energetic polymer solutions: effect of viscosity and fluence on the splashing behavior

Laser plasma thrusters are a new kind of propulsion system for small satellites, and work with the thrust created by the laser ablation of a target. Liquid polymer solutions are very promising fuels for such systems, provided that no splashing of the target occurs, because ejection of droplets strongly decreases the performances of the system. We have investigated the nanosecond infrared laser ablation of glycidyl azide polymer solutions containing carbon nanoparticles as absorber. Shadowgraphy imaging revealed two cases, namely splashing regime and solid-like behavior. The transition between both regimes depends on the viscosity of the solution and on the laser fluence, and is explained by the recoil force acting on the target. Appropriate conditions to avoid splashing were identified, showing that this liquid polymer solution is a suitable fuel for laser plasma thrusters.     

Public understanding of science and the perception of nanotechnology: the roles of interest in science,methodological knowledge,epistemological beliefs,and beliefs about science

In this article, we report data from an online questionnaire study with 587 respondents, representative for the adult U.S. population in terms of age, gender, and level of education. The aim of this study was to assess how interest in science and knowledge as well as beliefs about science are associated with risk and benefit perceptions of nanotechnology. The findings suggest that the U.S. public is still rather unfamiliar with nanotechnology. Those who have some knowledge mainly have gotten it from TV and the Internet. The content of current media reports is perceived as fairly positive. Knowledge of scientific methods is unrelated to benefit and risk perceptions, at least when other predictors are controlled. In contrast, positive beliefs about science (e.g., its impact on economy or health) and more sophisticated epistemological beliefs about the nature of scientific knowledge are moderately linked to more positive perceptions of nanotechnology. The only exception is the perception of scientific uncertainty: This is associated with less positive evaluations. Finally, higher engagement with science is associated with higher risk perceptions. These findings show that laypersons who are engaged with science and who are aware of the inherent uncertainty of scientific evidence might perceive nanotechnology in a somewhat more differentiated way, contrary to how it is portrayed in the media today.     

Continuous proton spectra emitted in 3He and deuteron induced reactions

A study of the energy and angular distributions of protons emitted in ³He induced reactions was undertaken at an incident energy of 25.6 MeV. An analysis in the framework of the pre-equilibrium hybrid model did not succeed in explaining the overall behaviour of proton spectra; a contribution due to a break-up or a double stripping of the incident particle has to be taken into account. An attempt was made to account for these processes by performing a phase space calculation. This formulation was firstly tried in the case of deuteron induced reactions for which a break-up mechanism has already been confirmed in continuous proton spectra. The calculation extended to the case of ³He induced reactions showed that a double stripping mechanism could explain the observed distribution.     

Bindungsverh?ltnisse in Bicyclo(1.1.0)butanderivaten

Ohne Zusammenfassung

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Bonding conditions in bicyclo(1.1.0)butane derivatives