Published by De Gruyter

Volume 26 Issue 11

Issue of Zeitschrift für Naturforschung A

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Open Access June 2, 2014

Ein approximatives SCF-LCGO-Verfahren

H. Preuss

Page range: 1779-1781

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Abstract

Ausgehend von den Hartree-Gleichungen wird durch Mittelung der Potentialfelder eine einzige SCF-Gleichung hergeleitet, die als eine Näherung für die HF-Gleichung aufgefaßt werden kann. Nach Einführung der LCAO(STO) (GO)-Darstellung und der Mulliken-Approximation gelangt man zu einer sehr einfachen Form des SCF-Operators, die näher besprochen wird.

Open Access June 2, 2014

Turbulent Transport Equations and Kubo Formulae for Eddy Transport Coefficients

S. Grossmann

Page range: 1782-1791

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Abstract

Kubo type time correlation formulae for turbulent transport coefficients in incompressible but heat conducting fluids are derived, especially for eddy viscosity, eddy heat conductivity, and pressure. The connection to the cascade method as well as its equivalence to the methods of closure of hierarchy are established. Lagrangean time integration is used. If the retarded Green’s function has exponential time behaviour the damping constant Γ q can be calculated explicitely. In this approximation in the inertial range one finds the Kolmogoroff k -5/3 spectrum including its numerical factor (C=1.53). This induces a frequency spectrum ∼ ω -2 .

Open Access June 2, 2014

Optical Nuclear Polarization by Selective Population of Nuclear Substates

J. P. Colpa, K. H. Hausser, D. Stehlik

Page range: 1792-1799

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Abstract

The symmetry selection rules for the mixing of states by spin orbit interaction are known to cause unequal population of the three electronic levels of excited triplet states in aromatic molecules. It is shown here that the same selection rules, when combined with the hyperfine interaction, can also produce a selective population and depopulation of the nuclear sublevels. This mechanism is proposed to be responsible for the large optical nuclear polarisation (ONP) in low fields observed experimentally.

Open Access June 2, 2014

Quantum Mechanical Studies of Atomic, Bond, and Molecular Polarizabilities, Spectroscopic Studies of Root-Mean-Square Amplitudes, and Statistical Thermodynamics: Isotopic Species of Nitrogen Trichloride

G. Nagarajan, Stephen B. Cotter

Page range: 1800-1808

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Abstract

The infrared absorption and Raman spectra, evaluation of potential energy constants with various potential functions, and other spectroscopic studies have been briefly analyzed for the isotopic species of nitrogen trichloride molecule possessing a trigonal pyramidal symmetry. Among the various quantum mechanical models, the delta-function potential model based on the variational method and the delta-function electronic wave functions has been employed here to evaluate the atomic polarizabilities, the contributions by the bonding and nonbonding electrons to the bond parallel component of the polarizability, the bond perpendicular component of the polarizability, and the mean molecular polarizability of nitrogen trichloride. On the basis of group theoretical considerations, the symmetrized mean- square amplitudes, mean-square amplitudes, and root-meansqare amplitudes for both bonded and nonbonded atom pairs have been computed at the temperatures 298 °K and 500°K. On the basis of a rigid rotator and harmonic oscillator approximation, enthalpy function, free enthalpy function, entropy, and heat capacity have been computed for the temperatures from 200°K to 2000° K for both isotopic species of nitrogen trichloride. A discussion of the results follows.

Open Access June 2, 2014

Elektrisches Dipolmoment von TlBr und TlJ

E. Tiemann

Page range: 1809-1812

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Abstract

Stark-effect measurements on pure rotational transitions of TlBr and Til are described. The derived electric dipole moments of the most abundant isotopic molecules on the ground vibrational state are: 205 TL 79 Br : | μ 0 | = (4.493 ± 0.050) D , 205 Tl 127 I | μ 0 | =(4.607 ± 0.070) D . The electric dipole moment of 205 Tl 19 F | μ 0 |=4.2282 (8) D was used as standard.

Open Access June 2, 2014

¹²⁷I Pure Quadrupole Resonance Spectrum of Orthoperiodic acid, H₅IO₆

K. V. S. Rama Rao, Alarich Weiss

Page range: 1813-1816

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Abstract

The NQR-spectrum of 127 I in orthoperiodic acid, Η 5 ΙΟ 6 , has been studied on powder samples in the temperature range 77 Κ ≦ Τ ≦ 398 Κ. The resonance frequencies ν 1 of the transition m(±3/2) ⇄ m (±1/2) are 45.248±0.005 MHz (77 K) and 44.976 ± 0.005 MHz (296 K). For the⇄ transition m(±5/2) ⇄ m(±3/2) the resonance frequencies v 2 are 83.478±0.005 MHz (77 K) and 83.960 ± 0.005 MHz (296 K). The corresponding quadrupole coupling constants, e 2 q Q/h, are 282.977±0.005 MHz (296 K), and 281.892±0.005 MHz (77 K). The asymmetry parameters η have been determined as 0.2372±0.0001 (296 K), and 0.2580±0.0001 (77 K). A small change of 0.4% for e 2 qQ/h is accompanied by a rather large change of 21% for η within the temperature range investigated. e 2 q Q/h=f(T) shows a maximum at ~ 313 K. No evidence of phase transition has been observed by NQR spectroscopy between 77 K and 398 K.

Open Access June 2, 2014

Nuclear Spin Relaxation by Defect Mechanisms of Self-Diffusion in Crystals

D. Wolf

Page range: 1816-1824

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Abstract

The present paper shows how to incorporate the correlation between successive nuclear jumps, which are well known to play a role in defect mechanisms of self-diffusion in crystals, into the calculation of the correlation functions describing the temperature dependence of the nuclear spin relaxation in solids. The treatment is based on an extension of Torrey’s theory of nuclear spin relaxation by randomly migrating nuclei. Explicit and detailed results are given for the monovacancy mechanisms of self-diffusion in an isotopically pure face-centred cubic crystal.

Open Access June 2, 2014

Experimental Effects of R.F. Irradiation on N.M.R. Lines in Solids Dynamics of the Equilibrium Establishment

R. Van Steenwinkel

Page range: 1825-1828

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Abstract

The rates of dipolar and Zeeman energy creation under detuned irradiation are measured as function of the distance to resonance in isolated spin systems and in systems with known coupling to the lattice. The experimental results are compared with the Provotorov theory and, with some restrictions for the long correlation time region, the agreement with theory is found to be excellent.

Open Access June 2, 2014

Proton Magnetic Resonance Spectra of Benzene and Benzene-1-¹³C in Isotropic and in Nematic Solution

G. Englert, P. Diehl, W. Niederberger

Page range: 1829-1836

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Abstract

Th 1 H-NMR-spectra of benzene and benzene-1- 13 C in the isotropic phase (CCl 4 solution) as well as in the nematic phase of a liquid crystal are analysed and the resulting direct and indirect couplings presented. The comparison of observed direct couplings with values calculated from known Raman structural data shows deviations of up to 9% relative to the HH (orto) -coupling. This corresponds to an apparent increase of the carbon-proton distance of 0.03 A. Possible reasons are discussed such as anisotropy of the indirect couplings, solvent effects on indirect couplings and intramolecular vibrations. The conclusion is reached that the consideration of intramolecular vibrational motion perfectly explains the discrepancies.

Open Access June 2, 2014

Paramagnetische Strahlungsdefekte in Fluoren- und Carbazolkristallen / Paramagnetic Radiation Defects in Fluorene and Carbazole Single Crystals

E. Kotsch

Page range: 1836-1846

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Abstract

Two complementary radicals in fluorene and carbazole single crystals, irradiated by UV-, γ- or X-rays, have been identified by investigation of the hyperfine structure of ESR-spectra. Species I is formed by dissociation of a hydrogen atom from position 9, whereas species II results from addition of a hydrogen atom to one of the benzene rings. In carbazole there is evidence of a third radical. The annealing kinetics of all these radicals have been proved to be of second order, requiring activation energies between 1 and 2.1 eV.

Open Access June 2, 2014

Investigation of the ν₁ and 2ν₁ Infrared Bands of Monofluoracetylene

Rauno Anttila, Mikko Huhanantti

Page range: 1847-1851

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Abstract

The rotational structures of the ν 1 and 2 ν 1 infrared bands of monofluoroacetylene were investigated. The values B 0 =0.32374±0.00005 cm -1 and 0.32372±0.00010 cm -1 , respectively, were obtained. In addition, the analysis of the fundamental gave α 1 = (6.85±0.15) × 10 -4 cm -1 and D 0 = (15±3) × 10 -8 cm -1 . Theoretically, the centrifugal disortion constant was computed to be 13 × 10 -8 cm -1 . The hot bands accompanying the fundamental were also studied.

Open Access June 2, 2014

Solvent Dependence of the Intensity of the Absorption Band of Carbon Disulfide at 316 nm

Pietro Baraldi, Paolo Mirone, Elda Spaggiari Guidetti

Page range: 1852-1855

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Abstract

The integrated intensity of the absorption band of carbon disulfide at about 316 nm has been measured in the gas phase and in sixteen solvents. It is found that the absorption intensity rises steeply with the refractive index of the solvent, whereas the wavenumbers of the absorption maxima exhibit a small red shift. Both results are explained, according to Liptay’s theory of solvatochromism, as due to dispersion interactions.

Open Access June 2, 2014

Zwischenmolekulare Energieübertragung und Konzentrationsdepolarisation der Photolumineszenz von Lösungen

C. Bojarski

Page range: 1856-1859

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Abstract

Für die Emissionsanisotropie der Photolumineszenz als Funktion der Konzentration wird ein Ausdruck angegeben, der sowohl die Depolarisation als auch die bei hohen Konzentrationen auftretende Repolarisation beschreibt. Remigration und Konzentrationslöschung sind dabei berücksichtigt. Ein Vergleich mit experimentellen Messungen der Konzentrationsdepolarisation am Rhodamin 6G in Wasser-Glyzerin-Lösungen ergibt eine gute Übereinstimmung im ganzen Konzentrationsbereich.

Open Access June 2, 2014

Complex Formation and Photoreduction Processes in Sulphur Doped Silver Bromide

J. S. Huebner, L. J. Bruner

Page range: 1860-1864

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Abstract

The dark conductivity of annealed silver bromide single crystals, containing trace amounts of silver sulfide, has been measured as a function of dopant concentration. At 21 °C the conductivity exhibited a more rapid than linear increase with silver sulfide concentration at levels below 8 ppm. At 4 ppm, the lowest level achieved, a limiting dependence of the conductivity upon the fourth pwoer of the dopant concentration was observed. The room temeprature conductivity of the annealed samples became constant at dopant levels above 10 ppm. The dark conductivity of these samples, measured at 21°C after exposure to light at room temperature, dropped by more than an order of magnitude to constant levels typical of undoped silver bromide in the extrinsic range. This negative photoeffect could be largely reversed upon subsequent annealing. These results imply the formation of electrically active complexes incorporating several (~ 4) sulphur ions. The observed negative photoeffect is attributed to the photoreduction of interstitial silver ions to free silver. The relevance of the results to the photographic process is discussed.

Open Access June 2, 2014

Berechnung radialer Atomverteilungskurven einatomiger Flüssigkeiten

Gerd Willmann, Rolf Hosemann

Page range: 1865-1878

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Abstract

Auf Grund der verschiedensten Eigenschaften wird eine Klassifizierung von einer Auswahl einatomiger Flüssigkeiten vorgenommen. Es werden die Alkalimetalle, die Edelgase und die Stoffe Cu, Ag, Au, Pb, Ni und Co zu je einer Gruppe zusammengefaßt. Magnesium wird als einziger Vertreter einer vierten Gruppe zugeordnet. Mit Hilfe der Theorie des Parakristalles konnten die radialen Atomverteilungskurven mit dieser Auswahl von Flüssigkeiten kurz oberhalb ihres Schmelzpunktes berechnet werden. Der Gittertyp, der für diese Berechnung benötigt wird, ist für die Alkalimetalle das kubisch raumzentrierte Gitter, für Magnesium die hexagonal dichteste Packung mit Stapelfehlern und für die anderen Stoffe die kubisch dichteste Packung mit Stapelfehlern.

Open Access June 2, 2014

Die Anwendung einer hochauflösenden Beschattungsmethode zur Untersuchung der Schichtbildung von Au auf NaCl bei tiefen Temperaturen

K. Hayek, U. Schwabe

Page range: 1879-1884

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Abstract

The method of tantalum-tungsten shadowing has been applied to investigate the initial stages of nucleation and growth of evaporated gold films on sodium chloride cleavage planes. It was found that the observed density of particles at “saturation” (N 3 ) is proportional to exp (+α/T) where the constant α has two different values for the temperature ranges below and above about 298°K. Two possible interpretations of the occurrence of two activation energies are discussed: the effect of point defects on the surface and the influence of re-evaporation.

Open Access June 2, 2014

Konzentrationsabhängigkeit des Thermotransportes von Stickstoff in Tantal

Gerhard Höfer

Page range: 1885-1887

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Abstract

Concentration Dependence of the Thermal Transport of Nitrogen in Tantalum In a temperature gradient nitrogen atoms migrate to the hot region. The heat of transport is negativ and depends on the concentration. If the concentration of the dissolved atoms is higher than 1 at.-%, its value is about -1 kcal/mol, however it increases to -7 kcal/mol for an infinitely dilute solution. This value seems to be more convenient for a comparison with data of other systems and theoretical considerations.

Open Access June 2, 2014

Evaluation of Boltzmann Integrals for Inelastic Collision and Radiative Processes in Monatomic Plasmas

H. A. Claassen

Page range: 1888-1896

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Abstract

Within the scope of a moment method collision integrals of the Boltzmann type are formulated and evaluated for the different excited particle states of a stationary monatomic plasma macroscopically at rest. All collision and radiative processes except the three body recombination are considered. The calculations are performed within Grad’s 8-moment approximation of the momentum distribution functions of the material particle components. Assuming axial symmetry of the differential collision cross sections the evaluation leads to linear functions of generalized Chapman-Cowling integrals for binary inelastic particle interactions and to Einstein and photoionization coefficients for the radiative processes. Simplifications are given in special and limiting cases.

Open Access June 2, 2014

Phosphoreszenz der Entladungsrohrwand (Kovarglas) als Beitrag zur Lichtemission abklingender Plasmen

T. D. Märk, H. J. Oskam

Page range: 1897-1900

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Abstract

Emission having a large time constant has been measured recently in the decay period of plasmas produced in nitrogen and helium-nitrogen mixtures. Whereas the fast decaying emission during the early afterglow originates from the plasma volume, it was suspected that emission responsible for the large time constant (10 to 15 ms) was not due to emission processes involving nitrogen. The present studies relate to detailed measurements of this phenomenon in a decaying helium plasma produced in a Kovarglass built discharge tube. It will be shown that this slow decaying emission is due to phosphorescence of the walls of the glass tube.

Open Access June 2, 2014

Über das nichtthermische Gleichgewicht in einer Helium-Hohlikathodenentladung

G. Schmid

Page range: 1901-1908

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Abstract

The non-thermal plasma in a helium hollow cathode discharge is analysed by means of experiments and theory. The population densities of excited levels are calculated by a system of equations, including the different processes which occur in the plasma. A detailed examination of the mechanism of exitation and deexcitation follows. From this, a refined method is developed for the determination of the electron temperature by the intensity of a helium line.

Open Access June 2, 2014

Wechselwirkung von Ionen- und Elektronenwellen mit intensitätsgleicher Emission bei der einfachen und doppelten Plasmafrequenz

D. Beermann

Page range: 1909-1918

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Abstract

Nonlinear interaction of longitudinal plasma waves in two-fluid plasma exciting the solar type II burst emission is investigated. The interaction of ion and electron waves yields radiation at the fundamental plasma frequency, while emission at twice the plasma frequency is caused by self-interaction of the electron waves. Equal flux intensity results in both the radiation bands if the variation of electron density associated with the two wave modes is of the same order of magnitude.

Open Access June 2, 2014

Über die mechanischen Resonanzen eines zusammengesetzten plättchenförmigen Schwingers / Mechanical Resonances of a Compound, Disc Shaped Resonator

Andreas Schlachetzki

Page range: 1919-1925

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Abstract

Measurements by an ultrasonic resonance method in the frequency range from 0.8 to 26 MHz are reported. The resonators consist of an X-cut quartz with disc shaped samples from polycrystalline nickel, cemented on both sides of the quartz. The resonance spectrum of a quartz is analysed first. From the resonances of the composite system different sound velocities are derived allowing for the interpretation of the vibrations.

Open Access June 2, 2014

Notizen: Quantum Mechanical Calculation of Collision Integrals for HD

W. E. Köhler

Page range: 1926-1928

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Abstract

The magnetic Senftleben-Beenakker effect of the viscosity is mainly determined by two collision integrals of the linearized quantum mechanical Waldmann-Snider collision term, viz. by the relaxation coefficient of the tensor polarization of the molecular rotational angular momenta and by the coefficient which couples the friction pressure tensor and the tensor polarization. Starting from a simple nonspherical potential for HD, the scattering amplitude is evaluated analytically in first order distorted wave Born approximation and the two collision integrals are calculated for room temperature. A fairly good agreement with experimental values is found.

Open Access June 2, 2014

Notizen: Nuclear Level Scheme of Au-199 from Double Neutron Capture in Gold

D. Breitig

Page range: 1928-1929

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Open Access June 2, 2014

Notizen: Hyperfeinstruktur des GeTe

E. Tiemann, J. Hoeft, T. Törring

Page range: 1930-1930

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Open Access June 2, 2014

Notizen: The Nuclear Moments of the 67.4 keV Level in ⁶¹Ni

J. Göring

Page range: 1931-1932

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Open Access June 2, 2014

NOTIZEN: Phosphor-35 — ein neues Nuklid

W. Grimm, W. Herzog

Page range: 1933-1934

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Abstract

We have produced the new nuclide 35 P by the reaction 37 Cl (y,2p) 35 P and have measured a half-life of 45±2 s and a y-ray with an energy of 1571.8±0.2 keV.

Open Access June 2, 2014

Notizen: Note on Low Pressure Discharges in Nitrogen

P. kocian, R. rostam

Page range: 1935-1935

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Abstract

Some properties of the positive column in a low-pressure discharge in nitrogen were investigated. A form of constricted column at low pressure was observed without the presence of negative ions.

Open Access June 2, 2014

Notizen: The Dissociation Energies of Rhodium Phosphide and Platinum Phosphide

S. Smoes, R. Huguet, J. Drowart

Page range: 1936-1937

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Open Access June 2, 2014

Notizen: Anisotropie der ¹⁹⁵Pt-KMR-Verschiebungen kristalliner Tetracyanoplatinate(II) und des K₂[Pt(CN)₄]Br_0,3 · 2,3 H₂O

H. H. Rupp

Page range: 1937-1939

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Open Access June 2, 2014

Notizen: Calculation of the Quadrupole Coupling Constant of ¹⁷O in the Oxygen Molecule

T.-K. Ha, H. Labhart

Page range: 1939-1940

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About this journal

Objective
A Journal of Physical Sciences: Zeitschrift für Naturforschung A (ZNA) is an international scientific journal which publishes original research papers from all areas of experimental and theoretical physics. Authors are encouraged to pay particular attention to a clear exposition of their respective subject, addressing a wide readership. In accordance with the name of our journal, which means “Journal for Natural Sciences”, manuscripts submitted to ZNA should have a tangible connection to actual physical phenomena. In particular, we welcome experiment-oriented contributions.

Manuscripts considered for publication in A Journal of Physical Sciences: Zeitschrift für Naturforschung A undergo high-level refereeing. Mere formal correctness of a paper is not sufficient for its acceptance. Moreover, articles reporting a merely marginal extension of already existing knowledge are considered unsatisfactory. Instead, the key quality a publication in A Journal of Physical Sciences: Zeitschrift für Naturforschung A should possess is that it makes a genuine contribution to the advancement of its topic.

Topics

Atomic, Molecular & Optical Physics
Chemical Physics
Dynamical Systems & Nonlinear Phenomena
Fundamental Concepts of Physical Sciences
Gravitation & Cosmology
Hydrodynamics & Plasma Physics
Nuclear Physics & Particle Physics
Quantum Field Theory
Solid State Physics & Materials Science
Thermodynamics & Statistical Physics
Article formats
Original research articles, research notes, letters and review articles from all areas of theoretical and experimental physics

Information on submission process

Volume 26 Issue 11

Issue of Zeitschrift für Naturforschung A

Ein approximatives SCF-LCGO-Verfahren

Abstract

Turbulent Transport Equations and Kubo Formulae for Eddy Transport Coefficients

Abstract

Optical Nuclear Polarization by Selective Population of Nuclear Substates

Abstract

Quantum Mechanical Studies of Atomic, Bond, and Molecular Polarizabilities, Spectroscopic Studies of Root-Mean-Square Amplitudes, and Statistical Thermodynamics: Isotopic Species of Nitrogen Trichloride

Abstract

Elektrisches Dipolmoment von TlBr und TlJ

Abstract

127I Pure Quadrupole Resonance Spectrum of Orthoperiodic acid, H5IO6

Abstract

Nuclear Spin Relaxation by Defect Mechanisms of Self-Diffusion in Crystals

Abstract

Experimental Effects of R.F. Irradiation on N.M.R. Lines in Solids Dynamics of the Equilibrium Establishment

Abstract

Proton Magnetic Resonance Spectra of Benzene and Benzene-1-13C in Isotropic and in Nematic Solution

Abstract

Paramagnetische Strahlungsdefekte in Fluoren- und Carbazolkristallen / Paramagnetic Radiation Defects in Fluorene and Carbazole Single Crystals

Abstract

Investigation of the ν1 and 2ν1 Infrared Bands of Monofluoracetylene

Abstract

Solvent Dependence of the Intensity of the Absorption Band of Carbon Disulfide at 316 nm

Abstract

Zwischenmolekulare Energieübertragung und Konzentrationsdepolarisation der Photolumineszenz von Lösungen

Abstract

Complex Formation and Photoreduction Processes in Sulphur Doped Silver Bromide

Abstract

Berechnung radialer Atomverteilungskurven einatomiger Flüssigkeiten

Abstract

Die Anwendung einer hochauflösenden Beschattungsmethode zur Untersuchung der Schichtbildung von Au auf NaCl bei tiefen Temperaturen

Abstract

Konzentrationsabhängigkeit des Thermotransportes von Stickstoff in Tantal

Abstract

Evaluation of Boltzmann Integrals for Inelastic Collision and Radiative Processes in Monatomic Plasmas

Abstract

Phosphoreszenz der Entladungsrohrwand (Kovarglas) als Beitrag zur Lichtemission abklingender Plasmen

Abstract

Über das nichtthermische Gleichgewicht in einer Helium-Hohlikathodenentladung

Abstract

Wechselwirkung von Ionen- und Elektronenwellen mit intensitätsgleicher Emission bei der einfachen und doppelten Plasmafrequenz

Abstract

Über die mechanischen Resonanzen eines zusammengesetzten plättchenförmigen Schwingers / Mechanical Resonances of a Compound, Disc Shaped Resonator

Abstract

Notizen: Quantum Mechanical Calculation of Collision Integrals for HD

Abstract

Notizen: Nuclear Level Scheme of Au-199 from Double Neutron Capture in Gold

Notizen: Hyperfeinstruktur des GeTe

Notizen: The Nuclear Moments of the 67.4 keV Level in 61Ni

NOTIZEN: Phosphor-35 — ein neues Nuklid

Abstract

Notizen: Note on Low Pressure Discharges in Nitrogen

Abstract

Notizen: The Dissociation Energies of Rhodium Phosphide and Platinum Phosphide

Notizen: Anisotropie der 195Pt-KMR-Verschiebungen kristalliner Tetracyanoplatinate(II) und des K2[Pt(CN)4]Br0,3 · 2,3 H2O

Notizen: Calculation of the Quadrupole Coupling Constant of 17O in the Oxygen Molecule

¹²⁷I Pure Quadrupole Resonance Spectrum of Orthoperiodic acid, H₅IO₆

Proton Magnetic Resonance Spectra of Benzene and Benzene-1-¹³C in Isotropic and in Nematic Solution

Investigation of the ν₁ and 2ν₁ Infrared Bands of Monofluoracetylene

Notizen: The Nuclear Moments of the 67.4 keV Level in ⁶¹Ni

Notizen: Anisotropie der ¹⁹⁵Pt-KMR-Verschiebungen kristalliner Tetracyanoplatinate(II) und des K₂[Pt(CN)₄]Br_0,3 · 2,3 H₂O

Notizen: Calculation of the Quadrupole Coupling Constant of ¹⁷O in the Oxygen Molecule