bluuebunny/crossref_metadata_2025_split huggingface dataset:
Photoelectron Spectroscopy of Heterocycles. Indene Analogs
Authors: Güsten H. , Klasinc L. , Ruščić B. 
Published: February 2015

Abstract
The He (I) photoelectron (PE) spectra of indene, indole, benzofuran, benzothiophene, 1-, 2-, 3-, 4-and 6-methylindole and 4,5,6,7-tetrafluoroindole were measured and analysed. A close correlation between the π-ionisation energies of these compounds and the eigenvalues of the corresponding HMO-orbitals is found. A qualitative scheme for the assignment of the π-electron ionisations by orbital interaction of the constituents of the indene analogs i. e. of styrene and the p-orbital of the corresponding heteroatom, indicates that the energy levels in all the compounds investigated can be described by the same type of interaction and yields a value for the inductive effect of the hetero group (-CH3 and >CH2: 0.3 eV, >NH: 0.4, >S: 0.1, >O : negligible).
Hydrocarbon Chain Ordering in Liquid Crystals Investigated by Means of Infrared Attenuated Total Reflection (IR-ATR) Spectroscopy
Authors: Fringeli U. P. , Schadt M. , Riȟak P. , Günthard Hs. H. 
Published: February 2015

Abstract
Stationary and modulated IR-ATR spectra of Schiff's base nematic liquid crystals are reported. The mean order parameter of both, the aromatic core and the hydrocarbon chains is determined by analysis of the infrared dichroism of characteristic absorption bands. Hydrocarbon chain ordering was found to be considerably lower than predicted by Marčelja's statistical theory.
Notizen: Comparison of Synchrotron Radiation and Hydrogen Continuum Radiation in the Near VUV by Means of a Deuterium Transfer Standard
Authors: Einfeld D. , Stüde D. , Behringer K. , Thoma P. 
Published: February 2015

Abstract
The spectral radiance of a deuterium lamp has been calibrated by the radiation of an electron synchrotron and by the continuum radiation of a high temperature hydrogen arc. The two measurements allow an indirect comparison of the two radiometric standards in the spectral range from 175 to 340 nm. They agree with each other within less than ± 5%.
Chemical Turbulence: Chaos in a Simple Reaction-Diffusion System
Authors: Rössler Otto E. 
Published: February 2015

Abstract
Nonperiodic oscillation ("chaos"), formerly found in several 3-variable homogeneous abstract reaction systems, is also possible in 2-morphogen compartmental systems. In a 2-cellular (and hence 4-variable) symmetrical morphogenetic system of Rashevsky-Turing type, a nonperiodic return toward an (almost) undifferentiated state is observed under numerical simulation. The system hereby shows a novel, "bi-chaotic" (rather than bistable), type of behavior. The 2 chaotic regimes are of the screw type each. They are separated by a symmetrical saddle-limit cycle. This behavior is preserved under a "contraction" of the system to 3 variables. A second bichaotic mode (2 spiral-type chaotic regimes separated by a symmetrical steady state) is also possible. A preliminary result on a third of chaos is also presented. Thus, "turbulence" (or chaos) may be a general behavioral possibility of interaction-type morphogenetic systems.
Vibrational Energy Transfer in CHF3 -Mixtures
Authors: Frank K. , Hess P. 
Published: February 2015

Abstract
The vibrational relaxation times for pure CHF, and CHF3 diluted in H2, D2, Ar, Kr and Xe are 0.55; 0.01, 0.025, 2.6, 4.8, and 5.6 /μsec atm at 298 K. These measurements complete previous results obtained for the systems CHF3-He, Ne, Ar. Correlation of the rare-gas results according to SSH-theory shows that relatively small rotational contributions may be expected for the heavy collision partners Kr and Xe.
Electric Quadrupole Interaction of 20F in a KZnF3 Single Crystal
Authors: Ackermann H. , Dubbers D. , Grupp M. , Heitjans P. , Stöckmann H.-J. , Wanczek K. P. , Recker K. , Leckebusch R. 
Published: February 2015

Abstract
Nuclear magnetic resonance measurements were carried out on neutron activated 20F(T1/2=11s) nuclei in a single crystal of KZnF3. The quadrupolar splitted NMR spectrum, detected via the 20F β-radiation asymmetry, could be observed using a radio frequency modulation technique. The quadrupole coupling constant was determined to e2 q Q/h= + (12.0 ± 1.5) MHz at room temperature. The sign of e2 q Q was obtained from a simultaneous γ-ray anisotropy measurement on the succeeding 20Ne transition. Utilising a calculated field gradient of the fluorine atom, an fQ = 4.6% is determined. This value is compared with literature data of similar compounds.
Wirkungsquerschnitte für Umladung bei Stößen einfach-positiver Atomionen mit keV-Energien / Cross Sections for Charge Changing of Single-positive Atomic Ions with keV Energy
Authors: Lehmann B. 
Published: February 2015

Abstract
Cross sections have been measured for some charge changing processes occuring when single-positive atomic ions, with 12 - 60 keV, collide with Kr atoms. The ions are H+, C+, N+, O+ and S+. The apparatus only permitting registration of charged collision products, the observed processes are electron loss and double electron capture by the primary ions.
Structure and Compressibility of Au-Co Melts
Authors: Steeb Siegfried , Bek Richard 
Published: February 2015

Abstract
Alloys of the Au-Co system containing 0, and 100 at.% Co were investigated at temperatures between 10 and 20 °C above the liquidus by means of thermal neutron (wavelength 1.20 Å) and X-ray (Mo-Kα) diffraction. The interference functions show no additional maxima or deformations. Radial distribution functions were obtained and from these the coordination numbers NI and nearest neighbour distances rI were obtained and plotted versus the concentration together with the curves to be obtained for the ideal case and the case of total segregation. With both plots the experimental values lie between these curves thus indicating a tendency to segregation within these melts.
The velocity of ultrasound was measured in molten Au-Co alloys containing 0, 10, and 100 at.% Co within the temperature range from 995 °C to 1700 °C. The adiabatic compressibility was calculated from the velocity. From it the partial structure factors aij(0) and Skl(0) for zero momentum transfer were obtained. According to the results, the melts of the Au-Co system show a weak tendency to segregation.
Thus it could be proved by two independent methods, that Au-Co melts show a tendency to segregation.
X-Ray, NMR, and NQR Investigations of the Crystal Structure and Charge Distribution of Sodium Tetrachloroaluminate, NaAlCl4
Authors: Scheinert W. , Weiss Alarich 
Published: February 2015

Abstract
On single crystals of NaAlCl4 the NMR- and NQR-spectra of 23Na, 27Al, and 35Cl were studied at room temperature. The crystal structure of NaAlCl4 has been refined. A comparison of the NMR (NQR) data with the crystal structure data shows that the electric field gradients (EFG) at the chlorine sites are mainly determined by the partial covalency of the Al-Cl bond, whereas the EFG at the aluminum sites is determined by the small deviations of the AlCl4 ion from tetrahedral symmetry and by the influence of the lattice. ∣ e2 q Q/h ∣ (23Na) proves the dominant ionic character of sodium in the lattice. The experimental results for the crystal structure show minor deviations from Baenziger's data.
The NMR (NQR) data at T=22 °C are [atom (∣e2 q Q/h ∣ / MHz; η)]: 23Na (1.1117±0.0012; 0.2153 + 0.0005); 27Al (1.4895±0.0012; 0.3375±0.0011) ; 35ClI (23.033±0.030; 0.182 ±0.025); 35ClII (22.520 ±0.010; 0.270 ± 0.005) ; 35ClIII (21.646 ±0.003; 0.315±0.007); 35ClIV (22.410±0.016; 0.197±0.010).
Acetyl Cyanide III. Vibrational Spectrum and Vibrational Analysis
Authors: Heise H. M. , Scappini F. , Dreizler H. 
Published: February 2015

Abstract
The infrared spectrum of gaseous acetyl cyanide, CH3COCN, has been recorded from 90 - 3200 cm-1. The Raman spectrum of the liquid phase has been measured between 100 and 500 cm-1. The eighteen fundamental vibrations have been assigned, mainly on the basis of the infrared band contours, and a normal coordinate analysis has been made.
A Microwave Study of Collision-Induced Transitions between M-Resolved-Rotational levels of OCS
Authors: Mäder H. , Schrepp W. , Dreizler H. 
Published: February 2015

Abstract
Four-level MW-MW-double resonance experiments on the rotational Stark-levels J=0, 1, 2 and 3 of OCS have been performed employing both frequency and time domain techniques. The results indicate significant deviations from first order dipole collisional interaction.
Messungen an einem N2-Laser mit Dämpfungskondensatoren / Measurements on an N2-Laser with Damping Capacitors
Authors: Miyashiro S. , Gronig H. 
Published: February 2015

Abstract
A low cost pulsed molecular nitrogen laser with damping capacitors has been constructed and tested. The design in-corporates a bandsaw blade as a multiple negative electrode structure and twenty small damping capacitors along the laser channel for discharge. This design is very advantageous not only for practical use but also for the study of the dynamics of a nitrogen laser.
A Metric Theory of Gravitation without Minimal Coupling of Matter and Gravitational Field
Authors: Goenner H. 
Published: February 2015

Abstract
A metric theory of gravitation is suggested which reduces to Einstein's theory in the case of vanishing matter. If matter is present, in the Lagrangian formulation of the theory the principle of minimal coupling is given up by directly linking the matter variables to the curvature tensor. The theory contains a free parameter of dimension length. It is considered not to be a universal constant but a length characteristic for the mass of the material system described.
Results diverging from those of General Relativity are to be expected for regions with high curvature i. e. especially for gravitational collapse and dense phases of the cosmos. An exact, static and spherically symmetric solution with constant matter density is discussed; it indicates that, possibly, gravitational collapse is avoided.
Spatial Variations of Spontaneous Magnetization in a Layered Ising Model
Authors: Ränder K. 
Published: February 2015

Abstract
The extrema of the position-dependent spontaneous magnetization in a periodically layered two-dimensional Ising model are calculated exactly. Their asymptotic behaviour for infinite width of the surrounding homogeneous sublayer is given. The perturbations caused by the neighbouring sublayers on this extremum in a very thick sublayer are shown to be decoupled. Thus the asymptotic decay of the magnetization far from a single layer-shaped inhomogeneity can be inferred from the quoted asymptotics of an extremum, and it is found to be d-3/2exp (-d/ξ₁˂ where d is the distance to the inhomogeneity and ξ₁˂ the correlation length in the underlying homogeneous lattice. The connection of this decay law to the asymptotic decay of correlations is dicussed.
A Problem Connected with the Schott Term in Classical Electrodynamics
Authors: Sorg M. 
Published: February 2015

Abstract
It is shown that the well-known "4/3-problem" of the old Abraham-Lorentz model for the extended electron is still present in Rohrlich's redefinition of the electromagnetic four-momentum, if the latter is applied to an accelerated electron. The notorious factor 4/3 emerges now in connection with the Schott term. Since this term is an indispensable constituent of the Lorentz-Dirac equation of motion for the radiating electron, this equation appears to be not completely reliable.
Zusätzliche dielektrische Verluste starrer, polarer Moleküle in verdünnter Lösung bei Frequenzen oberhalb des Maximums der Debye-Absorption / Additional Dielectric Loss of Rigid Polar Molecules in Dilute Solutions at Frequencies in the Far Infrared [FIR]
Authors: Noerpel W. 
Published: February 2015

Abstract
The dielectric loss of ten polar molecules in dilute solutions has been measured in the 0.3 GHz to 300 GHz range. Besides the Debye-absorption of the polar molecules, in all solvents, i.e. heptane, cyclohexane, mesitylene and decalin there could be separated an additional part of dielectric loss in the range of mm-waves. This absorption has been approximated by a Debye-curve to gain the step of dispersion and the time-constant.
The dielectric loss of the unpolar solvents themselves, which is due to collision induced dipole moments, has also been investigated. The results are discussed and compared with the FIR-absorption of the polar molecules.
Analyse dünner Schichten binärer Verbindungen mit der Elektronenstrahlmikrosonde / Analysis of Binary Compound Thin Films with the Electron Microprobe
Authors: Haeussler E. , Saur E. 
Published: February 2015

Abstract
Analysis of Binary Compound Thin Films with the Electron Microprobe Two methods for the quantitative analysis of binary compound thin films by electron micro-probe have been developed and applied on some compounds with A 15-structure. Appropriate calibration curves for these compounds are given and compared with results of three theoretical or semiempirical methods showing fairly good agreement.
Microwave Spectrum, Nuclear Quadrupole Coupling Constants, Dipole Moment, and Structure of Chlorine Pentafluoride, ClF5
Authors: Bodenseh H. K. , Hüttner W. , Nowicki P. 
Published: February 2015

Abstract
Several rotational transitions in the ground vibrational state of 35ClF5 and 37ClF5 have been measured. From the frequency data the following constants have been derived: B0(35ClF5) = 3550.272(4) MHz; B0(37ClF5) = 3545.885 (4) MHz; DJ = 0.76(9) kHz; DJK = -0.67 (15) kHz; e Q q(35ClF5) = 43.93(8) MHz; e Q q(37ClF5) = 34.63(6) MHz; μ = 0.536(10) D.
The bond angle Fax-Cl-Feq is estimated at 86.5(1.0)°.
Thermodynamic Excess Functions of Binary Liquid Mixtures with Chain Association of One Component*. Part I: The Excess Gibbs Free Energy GE/RT
Authors: Becker F. , Kiefer M. , Rhensius P. , Schäfer H. D. 
Published: February 2015

Abstract
In this paper equilibrium models for the calculation of the excess Gibbs free energy of binary liquid mixtures are developed, the component A of which undergoes chain-forming self-association whilst the component B acts as an 'inert' solvent. It is shown that the extension of the well-known chain-association model of Mecke and Kempter, in which the probability of chain prolongation is assumed to be independent of chain length, is unable to establish satisfactory results because it does not exhibit sufficient unsymmetry. Reduction of the probability of chain growth with in-creasing chain length leads to an improved model with the geometric series replaced by the exponential series. This model, in which only two parameters are used, i. e. the equilibrium constants K for mutual solvation of A and B, and ρ for self-association of A, allows fitting of isothermal experimental GE /R T literature data on cycloalkanol-cycloalkane, alkanol-alkane, and NMF -CCl4 systems within the limits of experimental error. Compared with the two-parameter Wilson equation which gives equally small standard deviations, our equilibrium model has the advantage of allowing passage from GE to HE data and of being applicable to liquid-liquid equilibria.
Different Types of Chaos in Two Simple Differential Equations
Authors: Rössler Otto E. 
Published: February 2015

Abstract
Different types of chaotic flow are possible in the 3-dimensional state spaces of two simple non-linear differential equations. The first equation consists of a 2-variable, double-focus subsystem complemented by a linearly coupled third variable. It produces at least three types of chaos: Lorenzian chaos, "sandwich" chaos, and "horseshoe" chaos. Two figure 8-shaped chaotic regimes of the latter type are possible simultaneously, running through each other like 2 links of a chain. In the second equation, a transition between two different types of horseshoe chaos (spiral chaos and screw chaos) is possible. While sandwich chaos allows for a genuine strange attractor, the same has not yet been demonstrated for horseshoe chaos. Unlike the situation in the analogous 1-dimensional case, an emergent period-3 solution is not necessarily stable in the horseshoe. Since chaos is a "super-oscillation" (emergent with the third dimension), the existence of "super-chaos" is postulated for the nect level.
A six-minute, super-8 sound film, demonstrating the different behavioral modes and their bifurcations in the 2 equations, has been prepared. Chaos sounds as musical as a snore.
Molecular Orbital Theory of the Electronic Structure of Organic Compounds I. Dioxodiazacycloalkanes
Authors: Marañon Julio , Sorarrain Oscar M. , Grinberg Horacio , Lamdan Samuel , Gaozza Carlos H. 
Published: February 2015

Abstract
The stability of some heterocyclic compounds derived from the condensation of succinic and glutaric anhydrides with aliphatic diamines is compared using calculated values for the total energies. Further, some results derived from the electronic population analysis and the available experimental data are used to give information about the corresponding electronic structure. The CNDO/2 and INDO methods have been used for the calculations.
The Structure of 1,2,4-Thiadiazole by DRM Microwave Spectroscopy
Authors: Stiefvater Otto L. 
Published: February 2015

Abstract
Rotation spectra of 1.2,4-thiadiazole have been studied for naturally occurring 34S-, 13C-and 15N-species of the normal and the 5-d1 form, and the 12 sets of moments of inertia have been used to determine the substitution structure in the two principal axes systems. Agreement within less than 0.0005 Å and 0.02° for distances and angles, respectively, between the two independent sets of structure parameters was obtained through the use of the rotation of axes under substitution in combination with the first and second moment conditions.
The averaged bond lengths (in Å) and angles (in degrees) are:
S(1) - N(2) : 1.6490 C(5)S(1)N(2) : 92.75
N(2) - C(3) : 1.3166 S(1)N(2)C(3) : 107.09
C(3) - N(4) : 1.3663 N(2)C(3)N(4) : 120.12
N(4) - C(5) : 1.3133 C(3)N(4)C(5) : 107.74
C(5) - S(1) : 1.7071 N(4)C(5)S(1) : 112.30
C(5) - H(5) : 1.0785 S(1)C(5)H(5) : 123.90
C(3) - H(3) : 1.078 N(2)C(3)H(3) : 119.94
The H(3) atom was assumed on the external bisector of N(2)C(3)N(4) at a distance of 1.078 Å from C(3).
Geometric features of the four thiadiazoles are compared, and the method used in the structure calculation is discussed.
Near Infrared Absorption of Ethylene between 8200 cm-1 and 9500 cm-1 to High Pressures and Temperatures
Authors: Nees F. W. , Buback M. 
Published: February 2015

Abstract
The near infrared absorption of pure ethylene in the region of the second overtone of the C-H stretching fundamentals (8200 cm-1 to 9500 cm-1) was measured at supercritical temperatures (Tc = 9.5 °C) between 22 °C and 200 °C from 0.7 bar to 3000 bar.
The density and temperature dependence of bandshape, maximum frequency and absorption intensity are reported and discussed. The bands observed within a wide range of experimental conditions are assigned to combination and overtone modes.
The molar integrated intensity B̅λ determined between the wavelength of maximum absorption and the high frequency absorption boundary was observed to be independent of pressure and temperature. This enables spectroscopic concentration determinations on ethylene in high pressure - high temperature phase equilibria and reactions.
Second Virial Coefficients of Ground State Nitrogen Atoms
Authors: Guidotti C. , Arrighini G. P. , Capitelli M. , Lamanna U. T. 
Published: February 2015

Abstract
Second virial coefficients of ground state nitrogen atoms have been calculated in the temperature range 6000 - 20000 K. The results have been obtained using experimental potentials for the states 1∑g
+, 3∑u
+
5∑g
+ and of the nitrogen molecule and an ab initio Heitler-London potential for the 2∑u
+ repulsive potential.
Differences up to a factor of 5 are found between the present second virial coefficients and the corresponding values of Kessel'man et al.
The Zeeman Effect in the Rotational Spectrum of Carbonyl Chloro Fluoride
Authors: Scappini F. , Guarnieri A. 
Published: February 2015

The rotational Zeeman effect of FClCO is reported. The Chlorine nuclear gI-factor, the molecular g-factors, gaa , gbb , and gcc , and the magnetic susceptibility anisotropics, (2 χaa- χbb - χcc) mole and (2 χbb - χcc - χaa) mole, are obtained from the spectrum.
Some derivative molecular quantities are calculated.
Magnetisches Dipolmoment der zweiatomigen (IVa/VIa)-Molekeln 1Σ-Grundzustand / Magnetic Dipole Moments of Diatomic (IVa/VIa)-Molecules in their 1Σ Ground State
Authors: Honerjäger R. , Tischer R. 
Published: February 2015

Abstract
Rotational gJ-factors of the following (IVa/VIa)-molecules have been measured:

72Ge32S: -0.06828(11), 120Sn80Se: 0.03007(10),

74Ge80Se: -0.03765(6), 120Sn130Te: -0.02212(13),

74Ge130Te: -0.03193 (10), 208Pb32S: -0.06440 (4),

120Sn32S: -0.06120(7), 208Pb80Se: -0.02764(7).
The systematics of the rotational magnetic moments of class (IVa/VIa) -molecules are discussed.
Ion-Molekül-Reaktionen und Ladungsaustausch bei Stößen von O– auf O2 / Ion-Molecule Reactions and Charge Transfer in Collisions of O– on O2
Authors: Vogt D. , Dreves W. , Mischke J. 
Published: February 2015

Abstract
Investigations of the cross section for the reaction O- + O2 → O2
- + O have been made for laboratory kinetic energies 0-100 eV. The reaction shows a sharp maximum in the cross section at low energies (5 eV lab.). By the use of the primary ion 18O- it can be shown that above 20 eV (lab.) there is only charge exchange whereas in the lower energy region ion-molecule-reactions as well as charge exchange occure. The reaction O- + O2 → O+ + … has also been observed above 27 eV (lab.).
The Double Diffraction Model for LEED-Intensity Spectra of the Clean Pt(100) Surface
Authors: Heinz K. , Heilmann P. , Müller K. 
Published: February 2015

Abstract
The intensity spectra of the superstructure diffraction spots of the clean platinum (100) surface are presented for normal or nearly normal incidence. Their gross features are interpreted in terms of multiple diffraction contributions. It is shown that most of the maxima in the spectra can be explained by double diffraction processes from an idealized pure hexagonal surface layer and quadratic bulk layers. Alternative models in which the surface layer exchanges already all occuring reciprocal lattice vectors would predict additional peaks which, however, do not arise. Therefore superstructure features of the surface layer are assumed to be of second order. Thus double dif­fraction involving only idealized hexagonal and quadratic structures seems to dominate the diffraction behaviour of clean Pt(100).
Comparative FTR- and Ramanspectroscopic Studies of Fundamental Mode Frequencies in LiNbO2 and the Present Limit of Oblique Phonon Dispersion Analysis
Authors: Schuller E. , Claus R. , Falge H. J. , Borstel G. 
Published: February 2015

Abstract
The assignments of fundamental mode frequencies in LiNbO3 determined by IR-and Raman scattering-experiments show some characteristic differences. Comparative frustrated total reflection (FTR) -and Raman scattering-studies were carried out in order to find the origin of these discrepancies. The most serious deviation was due to the fact that in one case the ordinary phonon is observed by Raman scattering whereas the extraordinary mode is recorded only by FTR. It has been shown, on the other hand, that the oblique phonon dispersion technique did not provide arguments for the correct assignments. The main limit of the method is due to the fact that the influence of exciton states on polaritons hitherto is taken into account only by a constant high frequency dielectric 'function' (ε∞). The uncertainty in the choice of a suitable ε∞-value allows fittings of quite diverging sets of experimentally determined fundamental frequencies.