bluuebunny/crossref_metadata_2025 huggingface dataset:
Molecular Dynamics Study of a KCl Aqueous Solution: Dynamical Results
Authors: Migliore M. , Fornili S. L. , Spohr E. , Heinzinger K.
Published: February 2015

In this paper we report on dynamical properties of a 2.2 molal aqueous KCl solution as obtained from an 8.7 ps MD simulation at an average temperature of 289 K. Velocity autocorrelation functions, self-diffusion coefficients and spectral densities of the hindered translational and librational motions of the ions and the water molecules assigned to three subsystems - hydration water of the cations, hydration water of the anions and bulk water - are discussed.
Instability of the Mandelbrot Set
Authors: Peinke J. , Parisi J. , Röhricht B. , Rössler O. E.
Published: February 2015

Numerical evidence is presented that perturbations away from analyticity change the qualitative structure of the Mandelbrot set. The changes affect both the form and the surface structure. Most characteristically, the infinitely thin “necks” disappear. At at least one place, the surface structure becomes smooth.
Borinine (Borabenzene): Its Structure and Vibrational Spectrum. A Quantumchemical Study
Authors: Raabe Gerhard , Schleker Wolfgang , Heyne Eberhard , Fleischhauer Jörg
Published: February 2015

Recently we reported the results of some semiempirical and ab initio studies in which we compared the electronic structure of the hitherto unknown borinine with those of benzene and pyridine. The results of our calculations led us to the conclusion that the elusive nature of borabenzene is caused by its high reactivity, which might at least in part be due to the pronounced σ acceptor properties of a low-lying σ* molecular orbital.

We now present the results of further ab initio and semiempirical (MNDO) investigations in which we performed full geometry optimizations for the molecule using two different basis sets (STO-3G, 4-31G) and also calculated the vibrational spectra of the 10B and 11B isotopomeric borabenzene molecules at the 4-31 G level of ab initio theory and with the semiempirical MNDO method.

The calculated vibrational spectrum might be helpful to the experimentalist in identifying the molecule, for example trapped in a rare gas matrix among the side products.

The calculated orbital energies can be useful in identifying the molecule by means of its photoelectron spectrum.
Synthesis and Spectroscopic Properties of Some Compounds Related to Benzenamine-4-(9-anthryl)-N,N-dimethyl [ADMA]
Authors: Detzer N. , Baumann W. , Schwager B. , Fröhling J.-C. , Brittinger C.
Published: February 2015

The synthesis of several compounds related to ADMA are described in detail. These compounds are characterized by their mass, NMR, and IR-spectra. In addition, the solvent dependent shift of the fluorescence as well as the effect of an electric field on the fluorescence have been measured. The results are in agreement with a two-state model assuming the simultaneous fluorescence from a weakly polar and a highly polar state with dipole moment μ. μ2/a3 (a is Onsager’s radius) has been determined from both effects. The results are in good agreement with an excited state dipole moment of about 60 • 10-30Cm, in the polar state.
Dielectric Properties of New Unsymmetrically Substituted Diacetylenes: DNP/R2
Authors: Schultes H. , Strohriegl P. , Dormann E.
Published: February 2015

We report on the synthesis and the dielectric properties of four new unsymmetrically substituted diacetylenes: DNP/PU, DNP/4-MPU, DNP/DMPU and (+)-(R)- or (-)-(S)- DNP/MBU ((+)-/(-)- for dextro-/laevorotatory, (R)-/(S)-: Cahn-Ingold-Prelog notation for the asymmetric carbon atom). For (-)-(S)-DNP/MBU a pronounced temperature dependence of the permittivity is observed below the melting point. For thin polycrystalline pellets of (+)-(R)- DNP/MBU the poling characteristics are analysed in detail.
Neutron- and X-Ray-Diffraction Study on the Structure of Amorphous Cu50Ti50
Authors: Müller A. , Bühler E. , Lamparter P. , Steeb S. , Bellissent R. , Bellissent M. C. , Armbroise J. P.
Published: February 2015

Using the method of isotopic substitution from two neutron- and one X-ray-diffraction experiment the three partial Bhatia Thornton- as well as Faber Ziman-structure factors were determined with amorphous Cu50Ti50. The discussion yields the partial coordination numbers and atomic distances as well as the short range order parameters.
Photophysical and Photochemical Properties of Some Fluorescent Derivatives of Vitamin B1
Authors: Marciniak B.
Published: February 2015

Absorption and emission spectra, depopulation kinetics of the lowest excited singlet and triplet states and acid-base equilibria of two fluorescent vitamin B, derivatives, the products I and II of the reaction of N-methylated vitamine B, with cytidine and adenosine, respectively, were investigated. Analysis of the lifetime and quantum yield data indicate that at 77 K emissions are the main processes of deactivation of the S1 and T1 states for the free ion and protonated forms. The pKa values indicate a much higher acidity in the excited singlet and triplet states than in the ground state. I and II undergo very slow photochemical reactions in solution in the presence of oxygen (Φ ~ 10-4).
Temperature Relaxation between Systems with Negative Kelvin Temperatures
Authors: Zylka Ch. , Vojta G.
Published: February 2015

We investigate the problem of distributing a given amount of heat among three systems under the following conditions: The systems are able to exhibit negative Kelvin temperatures, and heat equalization always fulfills a harmonic mixing rule T = 2T(1) · T(2)/(T(1) + T(2)). Just this happens for spin systems in the high temperature approximation.
Pyroelectricity of Benzene Derivates. II. Metanitrochlorobenzene, Paranitrobenzonitrile, and Parabromobenzonitrile
Authors: Fleck Silvia , Weiss Alarich
Published: February 2015

The pyroelectric properties of the benzene derivatives, 1-Cl-3-NO2-C6H4, 1-CN-4-NO2-C6H4, and 1-CN-4-Br-C6H4, were investigated in the temperature range 100 ≦ T/K ≦ decomposition temperature. Dielectric measurements of single crystals of these compounds were performed. By use of a semiempirical quantum chemical model, including a point charge model of the solid matrix, the charge distributions in the molecules are calculated. With the therefrom resulting dipole moment and properties of a polar dielectric the change of the pyroelectric coefficient p with temperature is calculated. The experiments and calculations are discussed in connection with the known crystal structures of the substances.
Thermal and X-Ray Studies of 1,6-Bis-[4-(trans-4-n-propylcyclohexyl) phenyl]-hexane and 3,5-Bis-[4-(trans-4-n-propylcyclohexyl) phenyl]-1,2,4-thiadiazol
Authors: Ibrahim I. H. , Haase W.
Published: February 2015

The liquid crystalline phases of the title compounds have been investigated by differential scanning calorimetry, optical microscopy and X -ray diffraction methods. Transition temperatures and transition enthalpies of these compounds have been determined. The diffraction photographs in the nematic phase of the first compound showed diffraction patterns corresponding to two coexisting mass density fluctuations with commensurate wavelengths, whereas a single diffraction pattern was observed in the nematic phase of the second compound. The thermal and X -ray data showed that the first compound has a quasi-smectic layer structure.
Gauche Propanal: Microwave Spectrum and Methyl Barrier
Authors: Randeil Jeremy , Cox A. Peter , Dreizier H.
Published: February 2015

The barrier hindering internal rotation of the methyl group was determined by analysing ground-state A, E splittings of rotational lines in the 0+ and 0- torsional states of gauche propanal. The value V3 = 886 (10)cm-1 obtained can be compared with that obtained earlier for the cis rotamer.

The A rotational constant has also been determined, its value averaged over the two lowest states being 26248.41 (5) MHz.
Monte Carlo Simulation of Neoclassical Confinement in Finite-β Helias Equilibria
Authors: Lotz W. , Nührenberg J. , Schlüter A.
Published: February 2015

The beneficial effect of finite β on neoclassical confinement is demonstrated in Helias configurations. Equilibrium and transport calculations were performed for <β> up to 0.15.
Creation of Electric Fields in Tokamak Plasmas
Authors: Düchs D. F.
Published: February 2015

In conjunction with energy and particle fuelling, considerable mechanical or electromagnetic momenta are transferred to fusion plasmas, e.g. through neutral beam injection, limiter recycling, pellet injection and RF heating.

The build up of electric fields through charge separation in the momentum absorption process is estimated for somewhat simplified cases of neutral particle injection and recycling.

It is shown that for the parameters of large present-day tokamak devices remarkable electric field strengths of the order of 5 • 105 Volt/m can be created both in the plasma regions of beam absortion and near limiters.
Low Beta Rigid Mode Stability Criterion for an Arbitrary Larmor Radius Plasma
Authors: Berk H. L. , Wong H. V.
Published: February 2015

The low beta flute axisymmetric dispersion relation for rigid displacement perturbation of plasma equilibria with arbitrary Larmor radius particles and field line radius of curvature large compared to the plasma radius is derived. The equilibrium particle orbits are characterized by two constants of motion, energy and angular momentum, and a third adiabatic invariant derived from the rapid radial motion. The Vlasov equation is integrated, assuming that the mode frequency, axial “bounce” frequency, and particle drift frequency are small compared to the cyclotron frequency, and it is demonstrated that the plasma response to a rigid perturbation has a universal character independent of Larmor radius. As a result the interchange instability is the same as that predicted from conventional MHD theory. However, a new prediction, more optimistic than earlier work, is found for the low density threshold of systems like Migma, which are disc-shaped, that is, the axial extent Δz is less than the radial extent r0. The stability criterion for negative field line curvature χ

where ωpi is the mean ion plasma frequency, Ωi, the ion cyclotron frequency, δh the hot particle to total ion particle ratio, χ/r is the ratio o f the field line curvature and the midplane radius, which in our model is treated as a constant over the entire plasma, χh is the Larmor radius of the energetic species, Z is approximately given by an interpolation formula

which goes over to the correct limits if either

. For Δz/r0 ≪ 1 the stability criterion is determined by the total particle number. Whereas the older theory (Δz/r0 ≫ 1) predicted instability at about the densities achieved in actual Migma experiments, the present theory (Δz/r0 ≪ 1) indicates that the experimental results are for plasmas with particle number below the interchange threshold.
Analytical Approximations to Type III Separation Thresholds in Poincaré Halfmaps
Authors: Kahlert Claus
Published: February 2015

The curves The curves Ωk, marking the frequency thresholds for type III separation in the parameter space of Poincaré halfmaps, are investigated further analytically. In the limit of great values of their argument, the relaxation constant ϱ, all frequency functions Ωk are shown to grow algebraically -each with the same exponent being ⅔. Furthermore, a perturbation expansion is presented that yields good results already at a level of approximation where the calculations can be performed analytically.
Influence of Structure Breaking and Structure Forming Ions on the Dissociation Mechanism of Acetic Acid in Aqueous Solutions
Authors: Escriñá J. A. , Bañón M. L. , González-Velasco J.
Published: February 2015

Using a rotating disc electrode, the dissociation rate of acetic acid in various aqueous electrolyte solutions is studied. Li+ , Cs+ and (CH3)4N+ at 1 M concentration considerably modify the activation enthalpy and entropy of the reaction. Evidently the interaction between the cations and water influences the dissociation mechanism of the weak acid. In the presence of 1 molar Li+ the activated complex of acetic acid seems to contain only one water molecule instead of two in the other cases.
Sensitization and Charge Carrier Kinetics in ZnO Powders
Authors: Schindler Karl-Michael , Kunst Marinus
Published: February 2015

The influence of the excess charge carrier injection mechanism on the excess charge carrier dynamics in ZnO powder is investigated by contactless transient photoconductivity measurements. Excess charge carriers were produced by above bandgap light, subbandgap light and by injection from an adsorbed dye (Rhodamine B) after excitation of this dye. In all these cases the transient photoconductivity decay extends over a large time range but only after band-to-band excitation an appreciable decay is observed in the microsecond time range. The experimental results are discussed in particular with respect to photocatalysis.
Die Bedeutung des Ionenradius diamagnetischer Kationen für die ESR-Linienbreite von dotierten, antiferromagnetischen Verbindungen
Authors: Dräger K.
Published: February 2015

Polycrystalline samples of diamagnetically doped Cr2O3, still being antiferromagnetic, have been investigated by ESR in their high temperature region. In all mixed crystals of [MxCr1 - x]2O3- type with x < 0.15 a variation of the ESR line width according to ΔB(x) = ΔB(0) [1 - αx] was found. While ΔB decreases with x as expected for M = Al, Ga and Sc, it increases for M = In, Y, Lu, La and Bi.

This behaviour cannot be explained by magnetic delution alone. By considering the local distortions in an antiferromagnetic compound caused by incorporated foreign ions, a statistical model is developed that describes the observed ΔB(x) behaviour quantitatively.
Non-Differentiable Structure in the Generalized Mandelbrot Set
Authors: Peinke J. , Parisi J. , Röhricht B. , Rössler O. E. , Metzler W.
Published: February 2015

The generalized Mandelbrot set, described previously, contains - like the original Mandelbrot set - non-differentiable self-similar fractal structures. An example looking like a vortex structure is presented along with a corresponding generalized Julia set.
Electrical Characterization of La2-xSrxCuO4-y Superconductors
Authors: Chiodelli G. , Campari-Viganò G. , Massarotti V. , Flor G.
Published: February 2015

The electrical behaviour of La2-xSrxCuO4-y solid solutions (with x = 0, x = 0.025, x = 0.05, and x = 0.15) at temperatures between 10 and 900 K and under different oxygen partial pressure pO2 = 1 ÷ 10-6 atm) has been investigated. The samples prepared and measured under an O2 flux (i.e., with y = 0) show a superconducting transition with Tc = 46, 29. 37 K for x = 0. 0.05 and 0.15, respectively. The samples with x = 0.025, y = 0, and x = 0, y ≠ 0 exhibit no sign of superconductivity. In the temperature range 100-900 K. La2CuO4 is semiconducting, whereas the electrical resistivity is independent of temperature for the x =0.025 sample, and the x = 0.05 and x = 0.15 are metallic.
11B-Quadrupole Hyperfine Structure in the Rotational Spectrum of Phenyldifluoroborane
Authors: Vormann Kirsten , Dreizler Helmut
Published: February 2015

We present an investigation and interpretation of the 11B-quadrupole hyperfine structure (hfs) in the rotational spectrum of phenyldifluoroborane in the torsional ground state of the BF2 group. The measurements were made with a microwave Fourier transform (MWFT) spectrometer in the frequency range between 5 and 8 GHz.
A Microwave Fourier Transform Spectrometer in the Frequency Band From 26 to 40 GHz
Authors: Keussen Ch. , Heineking N. , Dreizler H.
Published: February 2015

We report the design and performance of a microwave Fourier transform spectrometer in the frequency region between 26 and 40 GHz for the investigation of rotational spectra. The performance is illustrated by rotational transitions of allene and allene-d4 molecules with a very small dipole moment in vibrational excited states. The sensivity and Doppler limited linewidth is demonstrated by measurements of transitions of isotopomers of carbonyl sulfide and sulfur dioxide.
Riemann - Cartan Geometry of Trivializable Gauge Fields
Authors: Mattes M. , Sorg M.
Published: February 2015

A Riemann-Cartan structure can be associated to any SO (4) trivializable gauge field. Under certain integrability conditions, this non-Riemannian geometry may be replaced by a strictly Riemannian one. The Yang-Mills equations guarantee the existence of such a Riemannian structure. The general SO(4) trivializable solution for the SO(3) Yang-Mills equations is discussed within the geometric approach.
Temporal Behavior of the Breakdown of Superconductivity
Authors: Buck Wolfgang , Parisi Jürgen
Published: February 2015

On a very short time scale, breakdown of superconductivity with increasing transport current turns out to be a highly dynamical process, called “current-induced resistive state”. Magnetic flux domains rapidly move perpendicular to the direction of the transport current applied, with increasing velocity as the current is further increased. At sufficiently high currents, superconductivity is completely destroyed, and the sample ends up in the normal state. In this paper, the first timeresolved measurements of voltage signals induced by the motion of single flux domains are reported. A stability analysis of the superconducting state based on the “Gibbs free energy barrier model” describes the temporal voltage profile generated by a single flux domain, which is solitarily moving across the sample cross-section, as well as the superimposed signals of a series of competing domains, existing simultaneously in the sample. In the latter case, the interaction among the flux domains is taken into account by a monopole ansatz. Studying the onset of the breakdown of superconductivity in type I materials, an oscillatory behavior of the domain size was found. After a few periods, these transients change into a stationary number of flux quanta per domain.
An Electrolytically Generated, Localized Hole Center in Quartz
Authors: Vassilikou-Dova A. B. , Eftaxias K. , Lehmann G.
Published: February 2015

In natural smoky quartz and neutron-irradiated, initially colorless quartz a new hole center was formed electrolytically at temperatures near 1100 K in addition to the well-known smoky quartz center. Unlike the latter its electron paramagnetic resonance spectra can already be measured at room temperature due to firm localization of the hole on one oxygen. It is characterized by fairly small hyperfine splittings due to Al impurity and significant deviations of all three principal g factors from that of a free electron. A tentative model for the structure of this center is proposed.

An activation energy of 215 kJ/mol was determined for this electrolytic coloration from the temperature dependence of the electrolysis currents.
On the Connection between Statical and Dynamical Chaos
Authors: Naschie M. S. El , Athel S. Al
Published: February 2015

The paper discusses the interrelationship between statical chaos and dynamical initial value problems. It is pointed out that approximate homoclinic and heteroclinic solitons can be perturbed to produce spacial asymptotic chaos in some buckled structural elastic systems which constitute strictly speaking boundary value problems.
On a Variable of the Quasi-particle Transformation of the Hamiltonian of an Odd-Nucleus
Authors: Demirhan Doğan , Büyükkiliç Fevzi
Published: February 2015

The canonical transformation of the general BCS Hamiltonian has been performed. The energy spectrum of 73Ta181 is determined and the calculated energy values arc plotted as a function of the auxiliary variable z of the transformation for three different values of the deformation parameter.
Note on Algebraic Structure Count
Authors: Dias Jerry Ray
Published: February 2015

An efficient graphical method for the calculation of algebraic structure count is presented which is an alternative to the method proposed by Gutman and is a generalization of the method of Randić.
Bhatia-Young Model Calculations of the Thermodynamic Properties of TKEBS-Based Binary Liquid Mixtures
Authors: Gallego L. J. , Somoza J. A. , Silbert M.
Published: February 2015

The simplified random phase approximation Bhatia-Young model has been used to evaluate the properties of mixing and the concentration fluctuations of the binary liquid mixtures of TKEBS with cyclohcxane. carbon tetrachloride and benzene. At this level of description the details of the potentials are not important; only the values of the long-wavelength limit of the average effective ordering pair potential and its temperature derivative are required. In the three mixtures the constituent molecules are assumed to be globular in shape.
The Molecular Zeeman Effect of Imines. I. Methanimine, its Molecular g-Tensor, its Magnetic Susceptibility Anisotropies, its Molecular Electric Quadrupole Moment, its Electric Field Gradient at the Nitrogen Nucleus, and its Nitrogen Spin-Rotation Coupling
Authors: Krause H. , Sutter D. H.
Published: February 2015

The rotational Zeeman effect has been observed in methanimine which was produced from ethylenediamine by flash pyrolysis. The observed vibronic ground state expectation values of the molecular g-values, the magnetic susceptibility anisotropies and the molecular electric quadrupole moments are: gaa = -1.27099(22), gbb= -0.18975(7), gcc= -0.03440(8), 2ξaa-ξbb-ξcc = 12.49(19) · 10-6 ergG-2mol-1, 2ξbb-ξcc-ξaa = 5.22(11) · 10-6 ergG-2 mol-1 Qaa = 0.43(17) · 10-26esu cm2, Qbb= 1.08(10) · 10-26 esu cm2, and Qcc= -1.51 (26) . 10-26 esu cm2. With the TZVP ab initio value for the out-off plane electronic second moment as additional input, reliable values can be given also for the individual components of the magnetic susceptibility tensor and for the bulk susceptibility:

ξ = (ξaa + ξbb + ξcc)/3=-13.13(88) · 10-6 erg G -2 mol-1.

From low-J a-and b-type zero field transitions the spin-rotation coupling constants and the 14N nuclear quadrupole coupling constants could be redetermined with improved accuracy. These data are compared with our new theoretical results.
Resolution of the 14N Nuclear Quadrupole Hvperfine Structure in the Rotational Spectrum of Hydrazoic Acid, HN3, and Evaluation of the Rotational Constants of H15NNN and HNN15N
Authors: Gerry M. C. L. , Heineking N. , Mäder H. , Dreizler H.
Published: February 2015

Microwave Fourier transform spectra have been measured for hydrazoic acid as its normal isotopomer, H14N3, and two substituted isotopomers, H15N14N14N and H14N14N15N. The 14N quadrupole hyperfine structure has been resolved in all cases, and the quadrupole coupling constants of all 14N atoms have been determined. They are compared with those from ab initio predictions. Rotational constants A have been evaluated accurately for the first time for the two 15N species, and have been used to confirm a previously published structure
Chaotic and Periodic Motions of Satellites in Elliptic Orbits
Authors: Koch B. P. , Bruhn B.
Published: February 2015

The spinning motion of aspherical satellites whose center of mass moves in a given elliptic polar orbit around an oblate central body is investigated using analytical and numerical methods. In the case of a magnetic satellite, dipole-dipole interaction with the central body is included. For small eccentricity, oblateness and magnetic interaction, the Melnikov method is used to study chaotic and perodic motions. The parameter dependence of the width of the chaotic layer and of the periodic resonances is discussed. For some selected parameter values the theoretical predictions are checked by numerical methods.
Reactions of Bis(hexamethyldisilazanyl)manganese(II) with Nitrogen Containing Ligands: Syntheses and X-Ray Structures of [Mn( 1,10-phen){N(SiMe3)2}2] and [Mn(4,4' -bipy){N(SiMe3)2}2] ·THF
Authors: Andruh Marius , Roesky Herbert W. , Noltemeyer Mathias , Schmidt Hans-Georg
Published: February 2015

The reaction of [Mn{N(SiMe3)2}2 (THF)] 1 with 2,2'-bipyridine (2,2'-bipy), 1,10-phenan-throline (1,10-phen) and 4,4'-bipyridine (4,4'-bipy) yields three new complexes: [Mn(2,2'-bipy){N(SiMe3)2}2] 2, [Mn(1,10-phen){N(SiMe3)2}2] 3, and [Mn(4,4'-bipy){N(SiMe3)2}2] · THF 4. The crystal structure of 3 reveals mononuclear species with pseudo-tetrahedral coordinated manganese(II) ions. Crystal data for 3: orthorhombic, a = 1741.0(2), b = 1879.3(3), c = 1967.0(3) pm, V = 6.436(2) nm3, Z = 8, space group Pbca. Compound 4 crystallizes in the monoclinic system, space group P 21/c; the lattice parameters are: a = 2139.5(3), b = 925.30(10), c = 1786.4(2) pm, β = 101.34(1)°, V= 3.4675(7) nm3, Z = 4.

The molecular structure of 4 consists of zig-zag infinite chains, with bridging 4,4'-bipyridine groups.
Preparation and Properties of Rhodium(III) Complexes with the Tetradentate Ligand N,N'-Bis(2'-pyridinecarboxamide)-1,8-naphthalene
Authors: Manessi-Zoupa Evy , Zafiropoulos Theodoros F. , Perlepes Spyros P.
Published: February 2015

Synthetic procedures are described that allow access to a number of new Rh(III) complexes with the tetradentate bis-amide ligand N,N'-bis(2'-pyridinecarboxamide)-1,8-naphthalene (LH2). These complexes have the formulae Rh(LH2)Cl3, Na[RhLX2] • H2O (X = Cl, CN) and [RhLA2]ClO4 (A = pyridine, 1-methylbenzotriazole). The compounds have been characterized by elemental analyses, conductivity measurements, X-ray powder patterns, spectroscopic (IR, UV/VIS, 1H NMR) studies and electrochemical methods. The neutral amide behaves as a bis-bidentate ligand in the oligomeric or polymeric, octahedral complex Rh(LH2,)Cl3. Monomeric, trans octahedral structures are assigned for the complexes of L2− in the solid state; the doubly deprotonated ligand acts as a tetradentate chelating agent with the four nitrogens as ligating atoms.
Copper(II) Complexes of Hydrazone Derivatives
Authors: Souza P. , Mendiola M. A. , Arquero A. , Fernández V. , Gutiérrez-Puebla E. , Ruiz-Valero C.
Published: February 2015

Three benzil based, macrocyclic oxygen-, nitrogen-, and sulfur-containing ligands, (3,4,10,11 -tetraphenyl-1,2,5,6,8,9,12,13-octaazacyclotetradeca-7,14-dithione-2,4,9,11 -tetraene) ethanol (L1), 10,1 l-diethoxy-3,4,10,11-tetraphenyl-1,2,5,6,8,9,12,13-octaazacyclotetradeca- 7.14-dithione-2,4-diene (L2), (3,4,10,11 -tetraphenyl-1,2,5,6,8,9,12,13-octaazacyclotetradeca- 7.14-dione-2,4,9,l 1-tetraene) ethanol (L3); a cyclic ligand, 6-ethoxy-l,6-diphenyl-4-oxo- 3,4,5,6-tetrahydro-2,3,5-triazine (L5) and two open chain ligands, benzilsemicarbazone (L6) and benzilbisthiosemicarbazone (L4) are reported. These ligands react with copper(II) chloride, nitrate and acetate. The complexes obtained have been characterized on the basis of NMR , IR, electronic and mass spectral studies, conductance and analytical data. The stoichiometry and the spectroscopic data o f the complexes indicate that the copper ions are coordinated by neutral ligands or by ligand anions formed by loss o f protons from the ligand.

The molecular and crystal structure of 6-ethoxy-l,6-diphenyl-4-oxo-3,4,5,6-tetrahydro- 2,3,5-triazine (L 5) was determined by X-ray diffraction; the space group is triclinic, P1̄ with a = 7.865(1), b = 14.101(6), c = 15.733(9) Å, α = 69.10(3)°, β = 75.62(2)°, γ = 86.69(2)°, V = 1578(1) Å3, Z = 4.
Synthese und Struktur von 3,3-Diorganyl-2,4-dioxa-l,5-dithia- 1,1,5,5-tetraoxid-3-silacyclohexanen und -heptanen / Syntheses and Structure of 3,3-Diorganyl-2,4-dioxa-1,5-dithia-1,1,5,5-tetraoxid- 3-silacyclohexanes and -heptanes
Authors: Sartori Peter , Jüschke Ralf , Boese Roland , Bläserb Dieter
Published: February 2015

Reactions of di-silver-1,n-alkanedisulfonates 1a (n = 1) and 1b (n = 2) with Cl2SiR1R2 lead to the monomerie 3,3-diorganyl-2,4-dioxa-1,5-dithia-1,1,5,5-tetraoxid-3-silacyclohexanes (for n = 1) 2a (R1 = R2 = Me), 3a (R1 = Me and R2= Ph) and 4a (R1 = R2 = Ph) and -heptanes (for n = 2) 2b (R1 = R2 = Me), 3b (R1 = Me and R2 = Ph) and 4b (R1 = R2 = Ph). In the case of 2a-4a a competition reaction is observed leading to the dimerization products 5a (R1 = Me and R2 = Me), 6a (R1 = Me and R2 = Ph) and 7a (R1 = Ph and R2 = Ph). The six-membered ring-systems of 2a-4a are compared with related silanes. An X-ray structure analysis is per­formed for the 3,3-diphenyl-2,4-dioxa-1,5-dithia-1,1,5,5-tetraoxid-3-silacycloheptane (4b).
Poly(trifluoromethanesulfonatosilyl)methanes - Precursors to Polysilylmethanes
Authors: Bommers Sebastian , Schmidbaur Hubert
Published: February 2015

A new and efficient synthetic route to di- and tri(silyl)methane is presented. Starting from bis- and tris(phenylsilyl)methane, bis- and tris(trifluoromethanesulfonatosilyl)methane can be obtained by Si-Ph cleavage with equivalent quantities of trifluoromethanesulfonic acid (triflic acid). Their reduction with lithium aluminium hydride yields di- and tri(silyl)methane. Substitution of the previously employed liquid anhydrous hydrogen bromide by triflic acid thus offers an experimentally more simple alternative with shorter reaction times and high selectivity.
Zur Chemie der 1,3,5-Triaza-2-phosphorinan-4,6-dione. Teil VIII. Weitere 1,3,5-Triaza-2 λ3-und 1,3,5-Triaza-2 λ4-phosphorinan-4,6-dione mit (2-Chlorethyl)amino-und Bis(2-chlorethyl)amino-Substituenten / Chemistry of the 1,3,5-Triaza-2-phosphorinan-4,6-diones. Part VIII. Further 1,3,5-Triaza-2λ3- and 1,3,5-Triaza-2λ4-phosphorinane-4,6-diones with (2-Chloroethyl)amino- and Bis(2-chloroethyl)amino Substituents
Authors: Farkens Michael , Neda Ion , Schmutzler Reinhard
Published: February 2015

In the reaction of 2-chloro-1,5-dimethyl-3-phenyl-1,3,5-triaza-2λ3-phosphorinane-4,6- dione (1) and 2-chloro-1,3,5-triphenyl-1,3,5-triaza-2λ3-phosphorinane-4,6-dione (2) with (2-chloroethyl)amine hydrochloride or bis(2-chloroethyl)amine hydrochloride in the presence of triethylamine the corresponding (2-chloroethyl)amino- and bis(2-chloroethyl)amino-substituted 2λ3-phosphorinane-4,6-diones (3-6) are formed. Oxidation with the hydrogen peroxide- urea-1: 1-adduct gives the corresponding 2-oxo-2λ4-phosphorinane-4,6-diones (7-10), in the same manner as described in the literature for the 1,3,5-trimethyl-1,3,5-triaza-2λ4-phosphorinane- 4,6-diones [6]. Hydrolysis of 1 leads to 2-hydro-1,5-dimethyl-3-phenyl-1,3,5-triaza- 2λ4-phosphorinane-4,6-dione (11). Compounds 3 -11 have been characterized via their 1H, 13C and 31P NMR spectra, mass spectra, and, with the exception of 9, through elemental analyses.
Synthese und spektroskopische Eigenschaften der stereoisomeren Ester aus L-und D-N-Benzoylalanin und L-und D-N-Benzoylalaninol / Synthesis and Spectroscopic Properties of the Stereoisomeric Esters from L-and D-N-B enzoylalanin and L-and D-N-B enzoylalaninol
Authors: Huneck S. , Porzel A.
Published: February 2015

The synthesis of the stereoisomeric esters of L- and D-N-benzoylalanine and L- and D-Nbenzoylalaninol is described.
Die Kristallstruktur von Tetraphenylarsoniumchlorid-dihydrat / The Crystal Structure of Tetraphenylarsoniumchloride Dihydrate
Authors: Andratschke Martina , Daßler Annerose , Klement Ulrich , Range Klaus-Jürgen
Published: February 2015

Crystals of the title com pound were obtained after reaction of tetraethylam monium-hydroxooxalato-titanate(IV ) with tetraphenylarsonium - chloride in water. The crystals are orthorhombic, space group P nma with a = 16.288(2) Å, b - 10.708(3) Å, c = 12.787(3) Å, Z = 4 ,V = 2230.2 Å3.
Festphasensynthese von Muramyldipeptidderivaten und Untersuchung ihrer biologischen Aktivität / Solid Phase Synthesis of Muramyl Dipeptide Derivatives and Investigations on their Biological Activities
Authors: Tschakert Jochen , Voelter Wolfgang
Published: February 2015

New muramyl dipeptide derivatives with exchanged carbohydrate residues are described. Each derivative is synthesized via a solid phase synthesis using an aminomethyl anchor resin. All synthetic products can be isolated in good yields. Their biological activities are tested by the luminol-dependent chemiluminescence associated with the phagocytosis of opsonized zymosan by granulocytes.
Synthesis and Spectroscopic Study of Pentacarbonyl(η2-tetracyanoethylene) Metal(0) Complexes of the Group 6 B Elements
Authors: Mour İzzet A. , Özkar Saim
Published: February 2015

Pentacarbonyl(η2-tetracyanoethylene) metal(0) complexes of chromium, molybdenum and tung­sten have been synthesized by the photochemical reaction of hexacarbonyl metal(o) with tetra- cyanoethylene in toluene at room temperature. The complexes were purified by chromatography and recrystallization, and characterized by UV- visible, IR and 13C NMR spectroscopy. Tetra- cyanoethylene is symmetrically bonded to the M(CO)5 unit through its carbon-carbon double bond as an η2-ligand. The spectral data are dis­cussed in terms of the metal → ligand π inter­action.
Kristallchemische Analyse der Stereochemie des Kations und Anions in Bis(triphenylphosphin)iminium-di(phthalocyaninato)metallaten der Selenen Erden, (PNP)[Ln(Pc2-)2]•xH2O (Ln = La, Gd, Tm; x ≤ 0,5) / Crystalchemical analysis of the stereochemistry of the cations and anions in bis(triphenylphosphine)iminium di(phthalocyaninato)metalates of the rare earth elements, (PNP)[Ln(Pc2-)2]•xH2O (Ln = La, Gd, Tm; x ≤ 0,5)
Authors: Haghighi Mohsen Safarpour , Franken Andreas , Homborg Heiner
Published: February 2015

Of the isostructural series of monoclinic (PNP)[Ln(Pc)2]• xH2O compounds (Ln = La ••• Tm) the crystal structures of the complex salts of tervalent La (1), Gd (2) and Tm (3) have been determined by single crystal X-ray diffraction analysis. Unit cell data for 2: space group P21/c; a = 15.172(8), b = 20.826(2), c = 25.876(3) Å, β = 95.19(3)°, V - 8143(4) Å3, Z = 4; 1 and 3 are isostructural with 2. The lanthanide ion occupies the center of a nearly ideal square antiprism, although the two staggered phthalocyanine rings are severely distorted in an unsymmetrical funnel-shaped fashion due to electronic, steric, and packing influences in the crystal lattice. Steric effects dictate also the geometry of the PNP cation, which adopts a hybrid conformation whose structural characteristics are between the common linear and bent conformers with medium short P-N distances (1.562 Å) and large P-N-P angles in the range 165.6° (1) > 158.3° (2) > 156.1° (3). The strong IR bands at ca. 1375 cm-1 assigned to the asym. (P-N) stretch are diagnostic for this hybrid conformation. The presence of water of crystallization in the periphery of the diphthalocyanine anion is confirmed. The shortest contact distance is observed to one of the bridging nitrogen atoms of the Pc2- ligand (3.02 Å) indicating a weak (HO-H•••N) hydrogen bond
Bildiing und kristallstruktur des (complexes [(18-Krone-6)(CH2Cl2)2] / Formation and Crystal Structure of the Complex [(18-Crown-6)(CH2Cl2)2]
Authors: Jones Peter G. , Hiemisch Oliver , Blaschette Armand
Published: February 2015

Single crystals of the title complex were fortuitously grown from a dichloromethane solution containing 18-crown-6 and sulfur trioxide. Crystallographic data (at -130 °C): triclinic, space group P1̄, a = 819.1(7). b = 860.6(7), c = 905.8(7) pm. a = 63.98(3), β = 66.56(3), y = 74.95(3)°, V = 0.5236 nm3, Z = 1, Dx, = 1.377 Mgm-3. In the centrosymmetric formula unit, the two CH2Cl2 molecules are situated one above and one below the plane of the ether oxygen atoms. They are C-H···O hydrogen-bonded to two opposing oxygen atoms (H-O 237.1 and 270.6 pm, C-O 335.5 and 365.9 pm, C-H···O 171.7 and 161.8°). The crown ether molecule has approximate D3d symmetry
Zur Kenntnis von KBa2V2O7Cl / On KBa2V2O7Cl
Authors: Martin F.-D. , Müller-Buschbaum Hk.
Published: February 2015

Single crystals of KBa2V2O7Cl were prepared by crystallization from flux. The transparent crystals crystallize with hexagonal symmetry, space group D4
6h-P63/mmc, a = 5.7688, c = 15.0762 Å. Z = 2. KBa2V2O7Cl is characterized by V2O7 double tetrahedra and a statistical distribution of K+ and Ba2+ surrounded by nine O2- and one Cl-. One point position occu­pied by Ba2+ shows a 3 + 6 + 3 anti-cuboctahedral coordination. KBa2V2O7Cl is isotypic to K3Mo2O7Br.
Alkalimetallformiate, V Die Kristallstruktur von Natriumformiat-Dihydrat, NaHCO2·2H2O [1] Alkali Metal Formates, V The Crystal Structure of Sodium Formate Dihydrate, NaHCO2·2H2O [1]
Authors: Müller Kerstin , Range Klaus-Jürgen , Heyns Anton M.
Published: February 2015

Single crystals of sodium formate dihydrate, NaHCO2·2H2O, have been prepared from aqueous solutions of sodium formate, NaHCO2, via the trihydrate, NaHCO2-3H2O. They are orthorhombic, space group Cmca, with a = 7.070(4), b = 14.534(2), c = 8.706(2) Å and Z = 8. The structure, including the hydrogen atoms, was refined to R = 0.054, Rw = 0.065 for 479 unique reflections with I > 3 σ (I). It comprises buckled layers formed by NaO6 octahedra which are edge- and corner-sharing. The octahedral coordination of the sodium ions is achieved by two oxygen atoms from two different end-on bonded formate ions and four water oxygen atoms. The O···H distances show clearly that strong hydrogen bonds are not involved in the bonding system
Metallkomplexe mit biologisch wichtigen Liganden, LXXIII [1] Komplexe von Palladium(II), Platin(II), Rhodium(III) und Iridium(III) mit N-6-Deoxy-galactopyranosyl-α-Aminosäuren / Metal Complexes with Biologically Im portant Ligands, LXXIII [1] Organometallic Compounds of Palladium(II), Platinum (II), Rhodium (III) and Iridium (III) with N-6-Deoxy-galactopyranosyl-α-amino Acids
Authors: Zhou Yuanlin , Wagner Barbara , Polborn Kurt , Sünkel Karlheinz , Beck Wolfgang
Published: February 2015

A series of complexes with anions of N-[1,2:3,4-di-O-isopropylidene-6-deoxy-α-D-galactopvranos-6-yl]-α-aminoacids has been obtained and characterized by spectroscopic data:

1-4 (R' = 6-deoxy-galactopyranosyl), (η5-C5Me5)(Cl)

5, 6 (M = Rh, Ir), (η5-C5Me5)M(CH3SCH2CH2CH(CO2)NHR') 7,8 (M = Rh, Ir), M(NHR 'CHRCO2)2 9-16 (M = Cu, Pd), (η2-C2H4)(Cl)Pt(NHR'CHRCO2) 17-20, Cl2M(CH3SCH2CH2CH(CO2R)NHR) 21-24 (M = Pd, Pt), Cl2M(NHR'CHRCO2Me)2 25-31 (M = Pd, Pt). The structures of 3 (R = CH2CH2SMe), 4 (R = CH2Ph), 7 (M = Ir) and 21 (M = Pd, R = H) have been determined by X-ray diffraction
Lineare oligophosphaalkane, xxvii [1] fragmentierung und zyklisierun^ disekundarer methylenbisphosphane mit sperrigen aromatischen resten in fe3- und ru3-clustern linear oligophosphaalkanes, xxvii [1] fragmentation and cyclization of disecondary methylenebisphosphanes with bulky aromatic substituents in fe3 and ru3 clusters
Authors: Bitterer Frank , Kucken Stefan , Langhans Klaus P. , Stelzer Othmar , Sheldrick W. S.
Published: February 2015

On reaction of disecondary methylenebisphosphanes H (R)P-CH2-P(R)H and H(tBu)P-CH2-P(R)H(R = Ph, 2,4,6-R'3C6H2, R' = Me, Et, iPr, tBu) with excess Fe2(CO)9, Ru3(CO)12 and Os3(CO)12 the hydrido clusters M3(CO)9(μ2-H )[μ2-P(R, tBu)-CH2-P(R,tBu)H] (M = Fe, Ru, Os) (3a -3j) are formed in addition to bimetallic phosphido com plexes (5a -5g) and clusters (4a - 4f) with [μ2-P(R,tBu)]2CH2 bridges. At higher temperatures cleavage of the P-C-P skeleton in 3a, 3b, 3d and 3h is accompanied by activation of the terminal C-H bonds of ortho-substituents R' (Et, iPr, tBu), phosphinidene clusters (8a, 8b, 8d and 8e) containing 2,3-dihydrobenzo[b]phosphole ligands being formed. Cluster com pounds Fe3(CO)9[μ3-P(R, tBu)][MeP(H)R] (7a - 7c) with secondary phosphane ligands could be identified as intermediate products. The X-ray structural analysis of Fe3(CO)8(μ2-H)2L(L = 1,3,3-trirnethyl-6,8-di-tert-butyl-2,3-dihydrobenzo[b]phosphole) (8e) shows a trigonal pyramidal Fe3P skeleton with the 2,3-dihydrobenzo[b]phosphole ligand in axial position. Metal-assisted fragmentation of the methylenebisphosphanes H(R )P-CH2-P(R)H(1f, 1g) with less bulky aromatic substituents (R = Ph, 2,4,6-Me3C6H2) affords bis-μ3-phosphinidene clusters Fe3(CO)9(μ3-PR)(μ3-PR') 11e (R = R' = 2,4,6-Me3C6H2) or 11f (R' = Ph, R = Me) and the phosphaalkene cluster Fe3(CO)9(μ3-PPh)(μ3, η2-P(Ph)=CH2) (13b), respectively. If 1g is treated with Fe2(CO)9 in an 1:2 molar ratio at elevated temperatures cleavage of the P-C-P skeleton leads to 14, a bimetallic complex with different phosphido bridges [μ2-P(R )H and μ2-P(R)Me]
Darstellung von μ-Nitroso-bis(pentahydro-closo-hexaborat)(3-) und Kristallstruktur von Cs3[B6H5(NO)B6H5] / Preparation of μ-nitroso-bis(pentahydro-closo-hexaborate)(3-) and crystal structure of Cs3[B6H5(NO)B6H5]
Authors: Franken A. , Preetz W.
Published: February 2015

By electrochemical oxidation of [B6H6]2- in the presence of nitrite ions and of the base DBU in dichlorom ethane solution the μ-nitroso-bis(pentahydrohexaborate) [B6H5(NO)B6H5]3- ion is formed and can be isolated by ion exchange chromatography on diethylaminoethyl cellulose. The crystal structure of the Cs salt has been determined from single crystal X-ray diffraction analysis. Cs3[B6H5(NO)B6H5] is orthorhombic, space group Pnma with a = 16.2303(13), b = 12.245(6), c = 25.444(2) Å. The unit cell contains three crystallographically independent anions with nearly C2v symmetry but differently distorted B6 cages
Kristallstruktur von MnSO3 • H2O , eine fastsymmetrische schichtstruktur / Crystal structure of MnSO3 • H2O, a nearly symmetrical layer structure
Authors: Engelen Bernward
Published: February 2015

The crystal structure of MnSO3H2O , space group P21/n, Z = 4. Dx = 2.842(2) g · cm-3, a = 4.843(3), b = 12.807(6), c = 5.762(4) Å, β = 90.39(4)° has been determined. MnSO3·H2O crystallizes in a hitherto unknown structure type, which is closely related to that of orthorhombic MnSeO3· D2O. Coordination of Mn is octahedral involving O atom s from one water moleculeo and four different sulfite ions. The Mn-O distances range from 2.136(3) to 2.285(3)Å . The S-O distances are 1.552(3), 1.556(3) and 1.482(3)!Å. The MnO6 octahedra form layers parallel (010) by sharing four equatorial vertices. The layers are connected by weak hydrogen bonds and shifted laterally by 0.7 Å from the arrangement with m symmetry, found in MnSeO3·D2O. Due to this shift, the water molecule is asymmetrically bonded, as shown by both the O-H···O distances (2.967(4)-3.834(5)Å) and the OD stretching modes (2554 and 2576 cm-1) of partly deuterated samples
Zur Kenntnis eines Barium-Lanthanoid-Oxomanganats(IV, V): Ba3ErMn2O9 / On a Barium Rare-Earth Oxomanganate(IV, V): Ba3ErMn2O9
Authors: Rabbow Ch. , Müller-Buschbaum Hk.
Published: February 2015

High temperature reactions of BaCO3/MnO/Er2O3 (3:1:1) led to single crystals of Ba3ErMn2O9. The product shows the structure of the hexagonal precious metal oxides Ba3LnRu2O9, but crystallizes with orthorhombic symmetry, space group C12
2v-Cmc21, a = 5.823 Å, b - 10.099 Å, c = 14.409 Å; Z = 4. The crystal structure is characterized by ErO6 octahedra, Mn2O9 face shared double octahedra and Ba2+ within cuboctahedral and anticuboctahedral coordination by O2-, respectively. In contrast to precious metal oxides the Mn-Mn distances inside the Mn2O9 double octahedra are elongated
Synthesis and Vibrational and Mass Spectra of Ph3SnO2PMe2, Ph3SnO2PMePh and Ph3SnO2PPh2
Authors: Shihada Abdel-Fattah
Published: February 2015

The reactions of (Ph3Sn)2O with PhMePOCl and with Ph2POCl lead to Ph3SnO2PMePh and Ph(SnO2PPh2, respectively. Ph3SnO2PMe2 has been prepared from the reaction of (Ph3Sn)2O and Me2PO2H in toluene. The IR and Raman spectra of Ph3SnO2PMe2, Ph3(SnO2PMePh and Ph3SnO2PPh2 are found to be consistent with polymeric structures with pentacoordinated tin atoms. The EI mass spectra indicate that the principal fragmentation processes of Ph3SnO2PRR′ (RR′ = Me2, MePh, Ph2) appear to occur by loss of phenyl radicals from tin and by elimination of the entire diorganophosphinate group.
Neutronenbeugungs-Untersuchung von Mg(IO3)2·4H2O -Einkristallen / Neutron Diffraction Studies on Mg(IO3)2 · 4H2O Single Crystals
Authors: Möller Hendrik , Suchanek Ellen , Lutz Heinz Dieter , Paulus Werner
Published: February 2015

The crystal structure of Mg(IO3)2·4H2O has been determined by neutron single crystal diffraction (P21/c, Z = 2, R = 2,2% on the basis of 1107 observed reflections). Mg(IO3)2·4H2O forms a layered structure built up of octahedral Mg(H2O)4(IO3)2 units linked by hydrogen bonds. The two crystallographically different water molecules are in­ volved in asymmetric, nearly linear hydrogen bonds to adjacent iodate ions (νOD of matrix isolated HDO: 2480, 2475, 2425 und 2412 cm-1, IR spectroscopic data, 90 K). The strength of the hydrogen bonds as well as that of other iodate hydrates is discussed in terms of both the synergetic effect and Brown’s bond valences.
Synthese, Reaktivität und Struktur von Semicorrinatcobalt-Komplexen [1] / Synthesis, Reactivity and Structure of Cobalt Semicorrinate Complexes [1]
Authors: Saalfrank Rolf W. , Struck Oliver , Peters Karl , Schnering Hans Georg von
Published: February 2015

Recently we have shown that reaction of copper(II) acetate with pyrrolidines 3 (HL1) and 4 (HL2) leads to the formation of the 2D-coordination polymer 1 and the helical 1 D-polymer 2. Ligands of semicorrin type 9 (HL3-5) exhibit similar structural motives compared with the tridentate pyrrolidine ligands 3 and 4. Reaction of semicorrin 9a (HL3) with Co(II) acetate yields the mononuclear chelate complex 10a (CoL3
2), whereas in the presence of oxygen the formation of the oxidation product 14 [CoL3
2(OAc)] is observed. The chiral semicorrin ligands 9b, c (HL4, HL5) react with metal(II) acetates to give the complexes 10b,c-13b,c via diastereospecific complexation. The structures of the cobalt complexes have been established by single-crystal X-ray diffraction.
Kristallstruktur und hydrothermale Darstellung der Schichtverbindung Be2(PO4)(OH)·2H2O / Crystal Structure and Hydrotherm al Synthesis of the Layered Compound Be2(PO4)(OH)·2H2O
Authors: Robl Christian , Göbner Volker
Published: February 2015

Colourless monoclinic single crystals of Be2(PO4)(OH)·2H2O (space group P21/n) have been prepared under hydrothermal conditions in aqueous solution. Crystal data: a = 631.7(1), b = 1108.7(2), c = 812.7(2) pm, β = 105.83(2)°, 910 unique reflections, 108 parameters, Rg = 0.0233. P is tetrahedrally coordinated by 4 oxygen atoms. Each of the two crystallographically unique Be atoms has two phosphate oxygen atoms, one water molecule, and one OH group as coordination partners. The tetrahedra share common vertices and build up a two-dimensionally infinite pattern. The OH group links the two unique Be centered tetrahedra. Loss of water commences at 300 °C and is finished at 580 °C.
The Structure and Catalytic Properties of Coordination Polyhedra of 3d-Metals in Metaphosphate Melts
Authors: Volkov S. V. , Bandur V. A. , Buryak N. I.
Published: February 2015

By EAS and ESR spectroscopy, oxygenated complexes of d-metals have been established in high-temperature melts NaPO3-Cr2O3-O2 and NaPO3-CoO-O2 and others of the type M(P03)ϰO2, where M is Cr, Co, V, and their structure has been established. The 18O/16O exchange reaction in the NaPO3-V2O5-O2 melt has been studied by mass spectrometry both in the presence of the oxidized substrate and in its absence. A general approach has been proposed explaining the interaction between polyphosphate complexes of 3d-metal ions and molecular oxygen and the oxidation ability of the oxygenated complexes in terms of the MO theory. It has been established three types of interaction between 3d-metal ions and molecular oxygen: donor, acceptor and donor-acceptor ones. Oxygenated complexes of the ions of the midle of the 3d-element series (d4-d7) were found to possess the revealed “par­tial’' oxidation ability towards alkanes.
Electrosynthesis of 2-Alkyl-4(3H)-quinazolinones
Authors: Estrada Eva , Rieker Anton
Published: February 2015

Electroreduction of 2-nitrobenzonitrile in a variety of alcohols leads to 2-alkyl-4(3 H)-quinazolinones via incorporation of the alkyl chain of the alcohols under cyclization. Physical properties and spectroscopic data of the quinazolinones and a probable pathway of their formation are given.