On spectroscopic properties and isotope effects of vibrationally stabilized molecules

Results of quantum and semiclassical calculations obtained for two different potential-energy surfaces are used to discuss spectroscopic properties and isotope effects of the linear IHI and IDI molecules. The potentials are a purely repulsive LEPS surface and a DIM-3C potential with two van der Waals type minima for equivalent IH ··· I and I ··· HI configurations. Both systems are dominated by the effect of vibrational bonding giving rise to some very unusual spectroscopic phenomena, which are discussed in detail. The different vibrational frequencies and rotational constants are roughly estimated as ν₁ = 120 (100) cm^?1, ν₂ = 280 (210) cm^?1, ν₃ = 360 (160) cm^?1 and B = 0.0194 (0.0196) cm^?1 for IHI (IDI). A detailed discussion of the dependence of ν₁, ν₂ and B on ν₃, their sensitivity to variations of the potential-energy surface, and a comparison with the vibrational frequencies of I₂ and HI (ID) is given. It is predicted that there exists only one excited level of the antisymmetric stretching mode. The numbers of symmetrical stretching and bending levels are fairly constant or may even decrease upon deuteration. Simultaneously deuteration destabilizes the molecule. These unusual phenomena are rationalized by our calculations. A set of criteria for observing infrared and Raman bound-to-bound and bound-to-resonance state transitions are presented for the IHI and IDI molecule.     

Über die Radioaktivität einiger Quellen der südlichen Wiener Thermenlinie

Ohne Zusammenfassung     

Rheological properties of chiral liquid crystals possessing a cholesteric-smectic A transition

We have measured the rheological properties of two cholesterol derivatives (cholesteryl myristate and cholesteryl nonanoate) in the vicinity of their cholesteric-smecticA transitions. The results for the two compounds differ qualitatively, and are in agreement with results based on optical observations of new defects in cholesteryl nonanoate showing that this material, traditionally considered as a typical cholesteric, in fact exhibits a TGBA phase between the cholesteric and smectic A phases.     

Birefringence writing and erasing in ultra-low-birefringence fibers by polarized ultraviolet side-exposure: origin and applications

This paper presents a new method for writing and erasing a birefringence in optical fibers by polarized ultra violet side-exposure. This experiment gives new insight into the origin of the induced birefringence and some applications are outlined.     

Two Maximal Volume Hyperplane Sections of a Convex Body Generally Intersect

Periodica Mathematica Hungarica -     

Thermal properties of non-symmetric bibenzoate liquid crystalline dimers

The liquid crystal behaviour of a family of non-symmetric liquid crystalline dimers is reported. These systems contain two bibenzoate rigid units that are linked to distinct terminal groups at one end, and to a flexible interconnecting spacer at the other. Several systems having different terminal and central chains are studied using calorimetric, microscopic and diffraction techniques. All the samples form phases with variable degrees of order (from low ordered smectic to crystalline phases) depending on the chemical constitution of the different segments. The influence of the length, parity and lateral substitution of the spacers on the transitional properties and the symmetry of the mesophases that are formed is analysed. It is found that a decrease in the transition temperatures and enthalpies occurs when the length of the flexible spacers increases, when lateral methyl substituents are introduced, or when the parity of the central spacer changes from an even to odd number of carbon atoms or ether groups. The arrangement of the mesogens and dissimilar flexible groups within the ordered structure is discussed with respect to the observed L/d ratios. Different values were obtained depending on the parity of the central spacer and on the degree of order. Interpenetrated structures, in which the flexible groups of different lengths are mixed, seem to be compatible with low ordered smectic phases, but sterically disfavoured when constructing crystalline phases.     

Über einige Derivate der Picolinsäure und die Überführung derselben in α-Amidopyridin

Ohne Zusammenfassung     

Metric semantics for concurrency

An overview is given of work we have done in recent years on the semantics of concurrency, concentrating on semantic models built on metric structures. Three contrasting themes are discussed, viz. (i) uniform or schematic versus nonuniform or interpreted languages; (ii) operational versus denotational semantics, and (iii) linear time versus branching time models. The operational models are based on Plotkin's transition systems. Language constructs which receive particular attention are recursion and merge, synchronization and global nondeterminacy, process creation, and communication with value passing. Various semantic equivalence results are established. Both in the definitions and in the derivation of these equivalences, essential use is made of Banach's theorem for contracting functions.Dedicated to Peter Naur on the occasion of his 60th birthday     

Molecular mechanics and molecular shape. V. on the computation of the bare surface area of molecules

This article examines the numerical estimation of molecular surface areas within the model of overlapping atomic spheres. One has the choice of either basing the estimate on all elements that contribute to the surface, or of ignoring systematically some elements in the interatomic clefts. It is argued that the second choice, even though more approximate, implicitly improves on the model and is to be preferred. Since surface areas are not measurable, the demonstration is unavoidably roundabout, relying mostly on correlation analysis. Among the regressors occur two compounded parameters. One, ratio of the surface area of the equivalent sphere to the surface area, is interpreted as a measure of molecular globularity. It reflects the molecular axis-ratio and surface convolution. The other, ratio of the surface area to the volume, is interpreted as a measure of the global congestion of a chemical residue. Together with a measure of the local congestion at the point of attachment, it affects the steric hindrance that a residue offers. The relation between the surface area and the number of valence electrons is also discussed.