The photoelectron spectra of the diazanaphthalenes

The high-resolution He 584 Å photoelectron spectra of ten diazanaphthalenes are presented. The ordering of the π orbitals and the nitrogen “lone-pair” orbitals is discussed. Several semi-empirical quantum-chemical calculation methods have been screened against the experimental evidence

Perfluoro effect in the photoelectron spectra of quinoline and isoquinoline

The high-resolution He 584Aophotoelectron spectra of heptafluoroquinoline and heptafluoroisoquinoline are compared with those of the parent compounds. Shifts in π ionisation potentials, due to the fluorine substitution, can be described with an inductive and a combined inductive-conjugative Hu¨ckel model

Photoelectron spectra of fluorine substituted diazanaphthalenes: “Even cases”

The high resolution He 584 Å photoelectron spectra of three diazanaphthalenes and some of their fluorine derivatives are presented. The qualitative model that is used frequently in the discussion of lone-pair level splittings is examined

Photoelectron spectra of some fluorine substituted diazanaphthalenes

The high resolution He 584 Å photoelectron spectra of fluorine substituted 1,2-diaza-, 1,3-diaza-, 1,4-diaza- and 2,3-diaza-naphthalene are presented. By means of fluorine substitution the analysis of the photoelectron spectra of the parent compounds can be made more definite. Unexpected shifts of the nitrogen “lone-pair” bands can be explained within the through-space and through-bond interaction model. From this explanation one can deduce that fluorine substitution can give experimental evidence about the symmetry character of the “lone-pair” molecular orbitals

Photoelectron spectra of fluorine-substituted diazabenzenes

The high resolution He 584 Å photoelectron spectra of ten fluorine-substituted diazabenzenes are presented. By means of fluorine substitution the analysis of the photoelectron spectra of the parent compounds can be made more definite. “Lone-pair” ionization potentials are shown to correlate well with data calculated by a modified and iterative version of the extended Hückel method

Concentrated Aqueous Piperazine as CO2 Capture Solvent: Detailed Evaluation of the Integration with a Power Plant☆

AbstractAn integrated energetic evaluation has been performed of a reference coal-fired power plant, a power plant with an advanced MEA-based post-combustion CO2 capture plant, and a power plant with a capture plant using concentrated piperazine (PZ) and high-pressure flash regeneration. This comparison shows that using a MEA-based capture plant reduces the net electric efficiency from 44.6% to 35.5%, while the PZ-based capture plant reduces it to 37.4%, corresponding to an efficiency penalty of only 7.2%

Giant deer (Megaloceros giganteus) diet from Mid-Weichselian deposits under the present North Sea inferred from molar-embedded botanical remains

The molar of a giant deer, Megaloceros giganteus (Blumenbach, 1799), was discovered in sandy deposits of the North Sea, about 10 km west of the present shoreline of the Netherlands. Compacted masticated plant remains were preserved in the molar's deep folds. A palaeoecological analysis of these plant remains shows the complete dominance of pollen from Artemisia (sage) and other Asteraceae Tubuliflorae (Compositae), indicating that the animal foraged in a steppe environment, and may have preferred to eat Artemisia, which contain a high level of nutrients such as calcium and phosphorous components, which are important for antler building. Radiocarbon dating indicates that the plant remains are of mid‐Weichselian age [38 570 (+300, −290) 14C a BP, Greenland Interstadial‐11]. This is the first study of the food choice of M. giganteus based on palaeoecological evidence. We hypothesize about links between the extirpation of M. giganteus at the onset of the Holocene in North‐West Europe and the transition from a landscape with highly dynamic geomorphological processes and consequently prevalence of immature and nutrient‐rich soils, to a less dynamic landscape with stable, leached and acidifying soils, and the decline of Artemisia and other calciphilous plants

Ethics in data sharing: developing a model for best practice

As an outcome of a seminar on the 'Ethics in Data Sharing', we sketch a model of best practice for sharing data in research. We illustrate this model with two current and timely real-life cases from the context of computer and network security