Tautomerism of amidoximes and other oxime species

The tautomerism of the aliphatic MeC(NH₂)═NOH and the aromatic PhC(NH₂)═NOH amidoximes in protic (H₂O, MeOH) and aprotic (Me₂CO, Me₂SO, and CHCl₃) solvents was studied by density functional theory calculations at the M06‐2X/6‐311+G(d,p) level of theory. In both types of solutions, these species exist in 3 tautomeric forms, viz, (Z)‐ or (E)‐amidoximes, and (Z)‐aminonitrone. The (Z)‐form is the dominant, and energy gap between the (Z)‐ and (E)‐tautomers of the amidoximes slightly depends on the nature of a solvent and significantly higher than that for other oxime species. For the amidoximes, the zwitterionic (Z)‐aminonitrone form is stabilized by protic solvents. The oxime‐nitrone energy gap is reduced by electron‐donor substituents at the oxime moiety at different types of oxime species.     

On “Comment on Supersymmetry, PT-symmetry and spectral bifurcation”

In “Comment on Supersymmetry, PT-symmetry and spectral bifurcation” [1], Bagchi and Quesne correctly show the presence of a class of states for the complex Scarf-II potential in the unbroken PT-symmetry regime, which were absent in [2]. However, in the spontaneously broken PT-symmetry case, their argument is incorrect since it fails to implement the condition for the potential to be PT-symmetric: C^PT[2(A − B) + α] = 0. It needs to be emphasized that in the models considered in [2], PT is spontaneously broken, implying that the potential is PT-symmetric, whereas the ground state is not. Furthermore, our supersymmetry (SUSY)-based ‘spectral bifurcation’ holds independent of the sl(2) symmetry consideration for a large class of PT-symmetric potentials.     

Influence of the sample orientation in Sn<Subscript>2</Subscript>P<Subscript>2</Subscript>S<Subscript>6</Subscript> crystals on the hydrostatic piezoelectric coefficients

The influence of the sample orientation on the effective value of the hydrostatic piezoelectric coefficients d _h ⁽ⁱ⁾ of Sn₂P₂S₆ crystals has been studied. The hydrostatic piezoelectric coefficients d _h ⁽¹⁾ and d′ _h ⁽³⁾ , were measured, d _h ⁽¹⁾ =(244±3) pC/N and d′ _h ⁽³⁾ =(92±1) pC/N. The hydrostatic piezoelectric coefficient d _h ⁽³⁾ for orthogonal axis system was calculated to be d _h ⁽³⁾ =(87±2) pC/N. The, optimal orientation of the sample has been found as (Xy l)−20°-cut. Maximal value of the effective hydrostatic piezoelectric coefficient d _h ⁽¹⁾ equals 260 pC/N. Double rotated samples were also studied. The orientation of the samples insensitive to the pressure has been found. The theoretical mean value of hydrostatic piezoelectric coefficient (d _h ) _mean corresponding to randomly oriented Sn₂P₂S₆ grains in a poled composite has been calculated to be (d _h ) _mean =136 pC/N.     

The next-to-leading order (NLO) gluon distribution from DGLAP equation and the logarithmic derivatives of the proton structure functionF 2(x, Q 2) at lowx

At lowx, an analytic solution of the DGLAP equation for gluon in the next-to-leading order (NLO) is obtained by applying the method of characteristics. Its compatibility with double leading logarithmic approximation (DLLA) asymptotics is discussed and comparison with the exact ones like GRV98NLO is made. The solution is then utilized to calculate the derivatives∂F ₂ (x,Q ²)/∂ lnQ ² and ∂ lnF ₂(x,Q ²)/∂ ln (1/x) and compared with the recent HERA data. Our solution is found to reproduce most of the essential features of the data on the derivatives.     

<Emphasis Type="Italic">SL(2; R)</Emphasis> Duality of the Noncommutative DBI Lagrangian

We study the action of the SL(2; R) group on the noncommutative DBI Lagrangian. The symmetry conditions of this theory under the above group will be obtained. These conditions determine the extra U(1) gauge field. By introducing some consistent relations we observe that the noncommutative (or ordinary) DBI Lagrangian and its SL(2; R) dual theory are dual of each other. Therefore, we find some SL(2; R) invariant equations. In this case the noncommutativity parameter, its T -dual and its SL(2; R) dual versions are expressed in terms of each other. Furthermore, we show that on the effective variables, T -duality and SL(2; R) duality do not commute. We also study the effects of the SL(2; R) group on the noncommutative Chern–Simons action.     

Microwave spectrum, molecular structure, dipole moment, and theoretical calculation of cyclopentanone oxime

The microwave spectra of cyclopentanone oxime (C₅H₈NOH) and its deuterated species (C₅H₈NOD) were observed in the frequency region from 9 to 40 GHz. Only a-type R-branch transitions were assigned in the vibrational ground and excited states. The rotational constants of normal species were determined to be A = 5870.80(33), B = 1917.021(8), and C = 1526.784(8) MHz in the vibrational ground state, and A = 5870.16(43), B = 1842.707(9), and C = 1479.401(9) MHz for deuterated species. The dipole moments were determined as μ_a = 0.80(10), μ_b = 0.20(10), and μ_c = 0.40(10) D. The ring-puckering vibrational states were observed up to v = 6. The vibrational mode was nearly harmonic. The fundamental frequency of the ring-puckering mode was found to be 70(20) cm⁻¹. The molecular structure of cyclopentanone oxime was determined to be a twisted configuration by comparing the observed and calculated rotational constants, planar moment of inertia, P_cc, and r_s coordinates of the hydroxyl hydrogen atom. On the molecular geometry, the bond angle, C₂C₁N₆ (Fig. 1), is larger than C₅C₁N₆ by ca. 6°, because of the steric repulsion between the methylene group of C₂ atom and hydroxyl group.     

Parametrization of the Moduli Space of Flat SL(2, R) Connections on the Torus

The moduli space of flat SL(2, R)-connections modulo gauge transformations on the torus may be described by ordered pairs of commuting SL(2, R) matrices modulo simultaneous conjugation by SL(2, R) matrices. Their spectral properties allow a classification of the equivalence classes, and a unique canonical form is given for each of these. In this way the moduli space becomes explicitly parametrized, and has a simple structure, resembling that of a cell complex, allowing it to be depicted. Finally, a Hausdorff topology based on this classification and parametrization is proposed.     

Simultaneous SO(2n) generator measurement by spin-clifford algebra coupling

In this paper we generalize the theory of simultaneous spin-component measurement to an arbitrary SO(2n) algebra. Independent (meter) spin-1/2 particles are coupled to the generators of the corresponding SO(2n) Clifford algebra. Assuming all meter particles are aligned initially in they direction, it is shown that the measurement of the meterx components after system coupling results in a simultaneous measurement of the system SO(2n) operators.     

Colossal magnetoresistance in layered manganite Nd2−2x Sr1+2x Mn2O7 (0 ≤ x ≤ 0.5)

The layered manganite Nd_2−2x Sr_1+2x Mn₂O₇, with x varying between 0 and 0.5, has been synthesized using solid-state reaction method. We have found that Nd_2−2x Sr_1+2x Mn₂O₇ do not form the single-phase layered compound with A₃B₂O₇ structure. Instead, mixtures of various phases, such as, orthorhombic perovskite, i.e., Nd_1−z Sr _z MnO₃, layered manganite and unreacted starting compounds, have been obtained. Except for x=0.4, which is found to be an antiferromagnetic insulator, all other x values yielded metal-insulator transition and ferromagnetic ordering.     

A specific state variable for a class of 3D continuous fractional-order chaotic systems

A specific state variable in a class of 3D continuous fractional-order chaotic systems is presented.All state variables of fractional-order chaotic systems of this class can be obtained via a specific state variable and its (q-order and 2q-order) time derivatives.This idea is demonstrated by using several well-known fractional-order chaotic systems.Finally,a synchronization scheme is investigated for this fractional-order chaotic system via a specific state variable and its (q-order and 2q-order) time derivatives.Some examples are used to illustrate the effectiveness of the proposed synchronization method.     

Electron dichroism effects in the relativistic (e, 2e) process for K-shell ionization of atoms

In this communication we present theoretical demonstration of electron dichroism in the relativistic (e, 2e) process for K-shell ionization of atoms in non-coplanar asymmetric geometry. The theoretical formalism has been developed in plane wave Born approximation and in this approximation the triple differential cross-section (TDCS) has been expressed as a product of kinematical factors and atomic structure functions. The longitudinal spin asymmetry in the relativistic (e, 2e) process on K-shell of atoms has been shown to depend on the interference between the transition charge and component of the transition current in the direction perpendicular to the scattering plane. Further, the longitudinal spin asymmetry has been shown to depend on incident electron energy, atomic number of the target, azimuthal angle of the ejected electron and scattered electron angle.     

In situ high-pressure X-ray diffraction experiments and ab initio calculations of Co2P

In situ high-pressure experiments of Co2P are carried out by means of angle dispersive X-ray diffraction with diamond anvil cell technique. No phase transition is observed in the present pressure range up to 15 GPa at room temperature, even at high temperature and 15 GPa. Results of compression for Co2P are well presented by the second-order Birch-Murnaghan equation of state with V0 = 130.99(2)3 (1=0.1 nm) and K0 = 160(3) GPa. Axial compressibilities are described by compressional modulus of the axis: Ka = 123(2) GPa, Kb = 167(8) GPa and Kc = 220(7) GPa. Theoretical calculations further support the experimental results and indicate that C23-type Co2P is stable at high pressure compared with the C22-type phase.     

Microscopic insight in the study of yrast bands in selenium isotopes

The yrast bands of even-even selenium isotopes with A = 68–78 are studied in the framework of projected shell model, by employing quadrupole plus monopole and quadrupole pairing force in the Hamiltonian. The oblate and prolate structures of the bands have been investigated. The yrast energies, backbending plots and reduced E2 transition probabilities and g-factors are calculated and compared with the experimental data. The calculated results are in reasonably good agreement with the experiments.      

Shell-model calculation of51V using pairing-plus-surface-tensor-interaction

Employing⁴⁸Ca as the core, the structure of⁵¹V is studied in the framework of a conventional shell-model. A pairing-plus-surface-tensor-interaction is used as the effective two-body interaction. Besides all configurations arising from 1f _7/2 and 2p _3/2 single-particle orbits, configurations of the form wheren ₁+n ₂=3 (the number of extracore protons) andn ₂ = 1, 2 are also considered. Low-lying energy levels are calculated and a satisfactory agreement with the experimental values is obtained. Our calculated density of states is higher than that reported previously. We also present theB(E2) values for transitions between low-lying levels and the spectroscopic factors for the⁵⁰Ti (³He, d)⁵¹V reaction. The dependence of the interaction parameters on the mass number of the core nucleus is also studied.     

2<Emphasis Type="Italic">µ</Emphasis>m Laser based on an electro-optical <Emphasis Type="Italic">Q</Emphasis>-switched intracavity KTP optical parametric oscillator

An 2 μm pulse laser based on an intracavity optical parameter oscillator (OPO) pumped by an electrooptical Q-switched 1.064 μm laser is realized. A type-II phase-matched (θ = 51.5° and φ = 0) KTP crystal and a limiting diaphragm with a diameter of 4 mm were used. The parameters of the KTP-OPO tuning curves as a function of the phase matching angles were analyzed for the case of 1.064 μm laser pumping. Experiments based on single and double KTPs for walk-off compensation were performed. An output energy of 26 mJ in the 2 μm wavelength region was obtained with a pump-to-signal conversion efficiency of 26%. The center wavelengths of the signal and idle lights were 2165.4 and 2088.6 nm with a FWHM of 3.8 and 4 nm, respectively.     

Continuously infinite commensurate-incommensurate phase transition of a two-dimensional competing Ising model

We consider the critical behavior of a two-dimensional competing axial Ising model including interactions up to third nearest neighbors in one direction. On the basis of a low-temperature analysis relating the transfer matrix of this model with the Hamiltonian of theS = 1/2XXZ chain, it is shown that the usual square root singularity dominating commensurate-incommensurate phase transitions of two-dimensional systems merges into a continuously infinite transition for certain relations among the coupling parameters. The conjectured equivalence between the maximum eigenstate of the transfer matrix associated with this model and the ground state of theXXZ chain is tested numerically for lattice widths up to 18 sites.     

The problems with M

M² is now widely used to characterize the quality of laser radiation. In the paraxial approach the inequality M²1 holds, if M² is defined by the second moments. Nevertheless, in some publications M²<1 is presented, either theoretically or experimentally (Wang et al., Optik 1995;100(1):8; Lu et al., Optik 1995;100(2):91; Wang et al., Optics and Laser Technology 1999;31:151). In particular, it is stated that for a superposition of axially shifted Gaussian spherical beams, M² can become smaller than one (Wang et al., Optics and Laser Technology 1999;31:151). These problems with M² are briefly summarized.     

Search for non-strange dibaryons

Inspite of tremendous interest there has been sporadic searches for dibaryon resonances in the past few decades. The main hurdle one faces in this search is their identification, their signature and practically no guide to their location. With the identification of the pentaquark-θ⁺ resonance one is encouraged to look for the discovery of strange dibaryons also. However where and how to look for non-strange dibaryons is not clear. The transition from a bipolar to a unipolar non-strange dibaryon may possibly be seen in the (p, 2p) reactions on heavy nuclei. The change of the finite size of thep-p interaction vertex can be identified as a sudden change in the extracted DWIA spectroscopic factor. The DWIA anomalies are to be searched for in the existing (p, 2p) reaction data for the identification of non-strange dibaryons