Determination of Densities of Liquids and Solids Using a Gas

An experiment for the determination of densities of solids and liquids is described. It uses Archimedes Principle with air as the fluid. It can be used in general and introductory physical chemistry courses as a regular laboratory experiment or as a demonstration. A typical calibration curve and the values of some densities measured using this method are given as examples.     

Imidazolium-Based Dicationic Cyclophanes. Solid-State Aggregates with Unconventional (C–H)+···Cl− Hydrogen Bonding Revealed by X-ray Diffraction

The first single-crystal X-ray crystallographic diffraction analysis of a dicationic heterophane showed a non-classic (C–H)⁺···Cl^?  hydrogen bond between the imidazolium rings and halide anions and the formation of unconventional charged assisted hydrogen bonds, which were the non-covalent forces driving the anion interactions shown by the dications 4·2X. Here is reported the halide-templated controlled synthesis and chemical response in basic media of 4·2X. Their structural properties were examined at the gas phase by electrospray ionization mass spectrometry in the negative-ion mode and in the solid-state by X-ray crystallography. Thus, the negative-ion ESI-MS response showed that the formation of non-covalent self-aggregates of macrocyclic dications is a consequence of hydrogen-bonded complexes with halide anions. Notably, X-ray diffraction of dication 4a·2Cl·2H₂O provides evidence for the H-bonding network, which has a crucial role in crystal packing. The solid-state aggregates showed that chloride anions and water molecules formed channels among dications 4a⁺.     

CONTROLLING GROUNDWATER QUALITY WITH ENDOGENOUS REGULATORY INSTRUMENTS

ABSTRACT. This research presents a competitive dynamic model that endogenously evaluates the economics of regulatory tax-policy options. This model is then applied to an irrigated corn production area west of Kearney, Nebraska, where the average groundwater contamination level from nitrates is reported to be 8.7 parts per million (ppm). Results indicate that no regulatory policies are necessary for maintaining potable groundwater quality with either a surge-flow irrigation system or a sprinkler irrigation system. In areas where conventional furrow irrigation technology is being used, higher net economic benefits result from the adoption of a variable-tax on nitrogen fertilizer use, followed by a constant-unit tax and a pollution tax.     

A transferable representation of the induced multipoles in ionic crystals

Electronic structure calculations of the induced dipole and quadrupole moments on a fluoride ion at low symmetry sites in a model crystalline environments are described. The results are used to characterize the short range contributions to the induced multipoles on the F^? ion that arise from overlap between the wavefunctions of the ions. These are represented by general functions of the positions of the surrounding ions, suitable for use in a computationally tractable simulation model. The present calculations are designed to test the transferability to other classes of materials of this representation which, to date, largely has been deduced from calculations on distorted alkali halide crystals. First, the induced multipoles in mixed crystals of the alkali halides are considered, in order to check that they are predicted reliably by combining the representations deduced for the corresponding pure materials. Second, polarization effects in the alkaline earth fluorides MgF₂, and CaF₂, in a locally distorted fluorite crystal structure are examined. It is found that the material-specific parameters in the representation are related through simple functions of the ionic radii. This relationship holds between MgF₂, and CaF₂, in the fluorite structure, but also extends to the alkali fluorides previously studied. In order to illustrate the significance of polarization effects, the polarization model for CaF₂ is combined with an ab initio pair potential for the repulsion and dispersion interactions and used in a molecular dynamics simulation. Inclusion of the polarization term improves greatly the calculated phonon frequencies in the crystal.     

Bis(salicylaldiminate) copper(II) and palladium(II) complexes: towards columnar mesophases

Copper and palladium complexes of new salicylaldimines derived from 3,4,5-tridecyloxyaniline, 2,3,4-tridecyloxyaniline and 4-decyloxyaniline have been synthesized and characterized. All the ligands bear four or more aliphatic chains with the aim of inducing columnar mesophases at low temperatures. In particular, metal complexes derived from 4-(3,4,5-tridecyloxybenzoyloxy)-salicyliden-3,4,5-tridecyloxyaninile display rectangular columnar mesophases at (or near) room temperature. These mesophase assignments have been confirmed by X-ray diffraction. A significant decrease of the melting points of the compounds is observed in the tridecyloxyaniline derivatives compared with those of similar complexes derived from mono- or di-decyloxyaniline.