Investigation of hydrogen bond effects on the hyperpolarizability of 2-Aminopyridinium maleate (2APM) complex and determining the non-linear optical susceptibility of the molecular crystal of 2APM

2-Aminopyridinium maleate (2APM) is a recently discovered organic acid-base complex that crystallizes in a non-centrosymmetric space group Pc and hence has a nonzero second-order optical susceptibility. In 2APM the cation (aminopyridinium ion) is connected to the anion (maleate ion) through hydrogen bonds (N1-H10–O2 and N2-H12–O1), we have calculated the molecular properties of 2APM for varying strength of these hydrogen bonds. It is observed that the molecular hyperpolarizabilty varies for varying strength of these hydrogen bonds. These observations are interpreted in terms of the change in nature of the hydrogen bond interaction as its strength is varied. Macropscopic second-order optical susceptibility (d ₀) of 2APM is obtained using the calculated value of molecular hyperpolarizability and the reported crystal structure of 2APM. In order to study the influence of molecular packing on the macroscopic non-linear optical property of the crystal, susceptibility calculations are repeated for 2-methyl-4nitroaniline (MNA) crystal, which is a very well known non-linear optical organic crystal with an exceptionally high value of second-order optical susceptibility. A comparison between the non-linear optical property of 2APM and MNA crystals is given. Comparing the values of d ₀ of 2APM crystals with that of urea shows that the nonlinear optical response of 2APM crystals will be nearly 10 times that of a urea crystal.     

Surface and catalytic properties of Cu–Ce–O composite oxides prepared by combustion method

Surface and catalytic properties of Cu–Ce–O composite materials prepared by solution combustion method have been investigated. The materials are characterized by X-ray diffraction (XRD), temperature programmed reduction (TPR) and electron paramagnetic resonance spectroscopy (EPR). The results of EPR and TPR show finely dispersed Cu²⁺ species on ceria matrix with low copper content. The Cu²⁺ species exists in the form of dimers and clusters which are not evident in XRD. In addition CuO is also present as small clusters which grow to larger size at higher Cu content. There is no evidence of CuO forming a solid solution with fluorite CeO₂ in combustion method. The Cu²⁺ species mostly appear on surface rather than in the bulk. Hydrogen peroxide decomposition kinetics has been carried out on Cu–Ce–O composite materials to investigate the effect of crystalline and well-dispersed copper oxide phases on CeO₂. From kinetic results, the catalyst materials can be grouped into highly dispersed as well as crystalline CuO phases present on CeO₂ matrix. Two parallel compensating lines for dispersed and crystalline CuO phases on CeO₂ are observed in ln A versus E_a plot indicating the compensation effect in H₂O₂ decomposition. This observation is consistent with XRD and EPR results.     

Evidence of Dynamical Fluctuation of Target Residues in Relativistic Nuclear Interaction at 14.5 AGeV

An analysis of data of target fragments of ²⁸Si-AgBr (at 14.5 AGeV) reveals the existence of emission asymmetry in the azimuthal plane, which is found to depend on the number of target fragments. The comparison with the data of ³²S-AgBr (at 200 AGeV) and ¹⁶O-AgBr (at 60 AGeV) interactions indicates that emission asymmetry depends on the projectile mass and energy.     

Atom Capture by Nanotube and Scaling Anomaly

The existence of bound state of the polarizable neutral atom in the inverse square potential created by the electric field of a single walled charged carbon nanotube (SWNT) is shown to be theoretically possible. The consideration of inequivalent boundary conditions due to self-adjoint extensions lead to this nontrivial bound state solution. It is also shown that the scaling anomaly is responsible for the existence of such bound state. Binding of the polarizable atoms in the coupling constant interval η ²∈[0,1) may be responsible for the smearing of the edge of steps in quantized conductance, which has not been considered so far in the literature.     

Finite Inhomogeneous Radial Expansion (Contraction) and Longitudinal Shearing of an Isotropic Compressible Elastic Circular Cylindrical Shell

We have first obtained that the equations of equilibrium governing the finite radial expansion (contraction) and longitudinal shearing of a circular cylindrical shell become uncoupled for a class of harmonic materials (a class of isotropic homogeneous compressible elastic materials). Next it has been assumed that the dilatation is uniform. Following this the exact solutions of the uncoupled equations of equilibrium have been obtained for a simple harmonic material which is reduced to the Neo-Hookean material for the incompressible case. The deformation is nonhomogeneous in nature. The stresses have been obtained. This revised version was published online in August 2006 with corrections to the Cover Date.     

Reductive deamination of aryl- and heteroaryl-amines via pyridinium fluorides

The corresponding “pseudobase” Δ² -1,5-diketones (8) and (14) afford dihydrochromenylium (9b) and tetrahydro-xanthylium monofluorides (15). These convert aryl- and heteroarylamines into dihydroquinolinium (10) and tetrahydro-acridinium (16) monofluorides which at 130–250° give the deaminated arenes and heteroarenes (average overall yield 60%).     

Synthesis and intramolecular nitrile oxide cycloaddition of 3,5'-ether-linked pseudooligosaccharide derivatives: an approach to chiral macrooxacycles

3,5'-ether-linked pseudooligopentose derivatives were synthesized for the first time from readily available carbohydrate precursors. The 1,2-isopropylidene-protected ether-linked oligopentoses are potentially important as precursors of novel RNA analogues. Intramolecular cycloaddition of the nitrile oxides prepared from these derivatives led to the diastereoselective formation of chiral isoxazolines fused to 10-16-membered oxacycles. The stereochemistry of some of these isoxazolines was established by X-ray diffraction and NOESY analysis.     

Divergent cycloaddition and ring-closing metathesis approaches to indolizidine and pyrrolo[1,2-a]azepine skeletons from a chiral precursor: an expeditious route to (-)-8-epi-swainsonine triacetate

[reaction: see text] A divergent strategy for the synthesis of diverse azabicyclic ring systems has been developed in which a chiral N-allylpyrrolidine derivative, obtained from a carbohydrate precursor was converted to (-)-8-epi-swainsonine triacetate by RCM and to a pyrrolo[1,2-a]azepine derivative and a 3-hydroxymethyl-substituted indolizidine by N-allylcarbohydrate nitrone and nitrile oxide cycloadditions.     

Hawking radiation and black hole spectroscopy in Hořava–Lifshitz gravity

Hawking radiation from the black hole in Ho?ava–Lifshitz gravity is discussed by a reformulation of the tunneling method given in Banerjee and Majhi (2009) [17]. Using a density matrix technique the radiation spectrum is derived which is identical to that of a perfect black body. The temperature obtained here is proportional to the surface gravity of the black hole as occurs in usual Einstein gravity. The entropy is also derived by using the first law of black hole thermodynamics. Finally, the spectrum of entropy/area is obtained. The latter result is also discussed from the viewpoint of quasi-normal modes. Both methods lead to an equispaced entropy spectrum, although the value of the spacing is not the same. On the other hand, since the entropy is not proportional to the horizon area of the black hole, the area spectrum is not equidistant, a finding which also holds for the Einstein–Gauss–Bonnet theory.     

Tuning the resonance in high-temperature superconducting terahertz metamaterials

In this Letter, we present resonance properties in terahertz metamaterials consisting of a split-ring resonator array made from high-temperature superconducting films. By varying the temperature, we observe efficient metamaterial resonance switching and frequency tuning. The results are well reproduced by numerical simulations of metamaterial resonance using the experimentally measured complex conductivity of the superconducting film. We develop a theoretical model that explains the tuning features, which takes into account the resistive resonance damping and additional split-ring inductance contributed from both the real and imaginary parts of the temperature-dependent complex conductivity. The theoretical model further predicts more efficient resonance tuning in metamaterials consisting of a thinner superconducting split-ring resonator array, which are also verified in subsequent experiments.