The electron spin resonance spectrum of a γ-irradiated single crystal of glycine

It is shown that γ rays act on glycine to give the free radical NH₃ ⁺-?H-CO₂ ^? which remains trapped in the solid. Electron spin resonance spectra from an irradiated single glycine crystal show marked anisotropy and it is deduced that the radicals are precisely oriented in the crystal lattice. The symmetry shown by the spectra is consistent with that of the crystal lattice. Despite overlapping of lines, the spectra due to the NH₃ ⁺-?H-CO₂ ^? radical have been interpreted in terms of electronnucleus coupling tensors for the N, the H_(C) and the three H_(N) nuclei, the latter being equivalent by virtue of a rotation or tunnelling of the -NH₃ ⁺ grouping. A qualitative interpretation of these tensors in terms of the electronic structure of the radical is given. This is consistent with the negative spin density on the H_(C) atoms and a positive spin density on the H_(N) atoms, as predicted by theoretical treatments. The radicals appear to be oriented in the lattice in approximately the same way as their parent molecules.     

Radiation effect studies in single crystal of Trifluoroacetyl-α-Aminoisobutyric acid

In this study, electron paramagnetic resonance of γ-irradiated single crystals of N-Trifluoroacetyl-α-amino isobutyric acid (F₃Ac-Aib-OH) was investigated at room temperature and analyzed for different orientations of the crystal in the magnetic field. The paramagnetic species in N-Trifluoroacetyl-α-aminoisobutyric acid was attributed to the ?F₂-R radical (R= CONHC(CH₃)COOH). Hyperfine coupling constants and g value were also determined. In addition, the single crystal of F₃Ac-Aib-OH was UV-irradiated and paramagnetic species formed was studied at room temperature. The effects of gamma irradiation on fluoroamino acid and stability were discussed.     

Studies on the growth,structural, optical,SHG and thermal properties of γ-glycine single crystal: An organic nonlinear optical crystal

Single crystals of the organic nonlinear optical material γ-glycine have been grown in the presence of Zinc sulphate by slow evaporation technique at ambient temperature for the first time. Bulk growth of γ-glycine single crystals was grown by Top-seeded solution growth method. The γ-phase of glycine was confirmed by powder X-ray diffraction and the FTIR analysis. Elemental analysis CHN was performed to confirm the non-inclusion of zinc sulphate species into the solution. Inductively coupled plasma optical emission spectrometry study (ICP-OES) was employed to quantify the concentration of Zinc element in the grown γ-glycine single crystals. The optical transmission was ascertained from UV–Vis–NIR spectrum. The optical band gap was estimated for γ-glycine single crystal using UV–Vis–NIR study. Differential scanning calorimetry analysis was employed to explore information about thermal stability, phase transition and melting point of the grown crystal. The second harmonic generation relative efficiency was measured by Kurtz and Perry powder technique.     

In-beam study of the level crossing resonance on the 4 μs 2 9+ isomer of69Ge in a Zn single crystal

The time-integral angular distribution was measured as a function of an external magnetic field for γ-rays from the 398 keV ₂ ⁹⁺ state of⁶⁹Ge populated by bombarding a Zn single crystal with a natural α-beam from a cyclotron. Clear resonances of dispersion as well as Lorentz type having a narrow width consistent with the natural width (τ=4 μs) were observed at B_res=9.15 kG corresponding to the first level-crossing resonance of the ₂ ⁹⁺ state due to the combined collinear magnetic and quadrupole interactions. The effects of noncollinearity were also demonstrated and compared with theory. As an application of this resonance method, the temperature dependence of the quadrupole interaction frequency was measured.     

A nuclear magnetic resonance investigation of γ-aminobutyric acid (GABA)

The temperature dependence of the ¹⁴N nuclear quadrupole resonance frequency in hexamethylphosphorus traimide, P[N(CH₃)₂]₃, and hexamethylphosphoric triamide, O=P[N(CH₃)₂]₃, has been studied between 77 K and the melting points. Values for the torsional oscillation frequencies v _t and the empirical parameter b, a function of v _t and the associated moment of inertia I, and of the volume-dependence parameter α, are reported. The values are consistent with previously reported values for thiourea, S=C(NH₂)₂.     

EPR study of γ-irradiated three-furancarboxylic acid

The electron paramagnetic resonance of γ-irradiated single crystals of three-furancarboxylic acid has been studied for different orientations of the crystals in a magnetic field. The radicals produced by γ-irradiation have been investigated between 123 and 350 K. The spectra were found to be temperature dependent, and radiation damage centers were attributed to the radical. The principal values of the g-tensor were determined. The results were found to be in good agreement with the existing literature data and theoretical predictions.     

Observation of the double optical-gamma resonance in Mössbauer spectra of 151 Eu in EuP 5 O 14 single crystal

A theoretical analysis has been made and calculation procedures have been developed for describing the hyperfine structure of ¹⁵¹Eu Mössbauer spectra and the effect of double optical-gamma resonance (DOGR) in the presence of hyperfine quadrupole interaction with an arbitrary symmetry of the electric field gradient tensor. An experimental setup was designed for DOGR-effect observation, incorporating the pumping argon laser and the tunable dye laser combined with the Mössbauer spectrometer on a common platform. The Mössbauer absorption spectra of ¹⁵¹Eu^3?+? nuclei in single crystals of europium pentaphosphate, EuP₅O₁₄, have been measured at T = 5 K and 80 K under the absence and presence of optical pumping tuned to the ⁷F $_{0}-^{5}$ D₀ electronic transition at the 578 nm wavelength. A simultaneous analysis of these spectra in terms of the spin Hamiltonian of hyperfine quadrupole interaction has allowed us to evaluate the DOGR-effect magnitude with the population of the excited (⁵D₀) electronic state under optical pumping of about 10 %.     

Dark periods in the resonance fluorescence of a single Λ system

We use the quantum jump method to study the photon statistics of a single laser-driven atom in the configuration where both lower levels are strongly coupled to the common upper level. Under certain conditions we show that, for almost degenerate lower levels, light and dark periods occur which are similar to those of the well-known Dehmelt V system. Analytic results for their mean lengths and other statistical properties are given. For large separation of the lower levels we prove an interesting bunching property by the photons in the resonance fluorescence near the dark resonance. We propose a realistic system for which these effects may be observed.     

Magnetic structure of CuCrO?: a single crystal neutron diffraction study

This paper presents results of a recent study of multiferroic CuCrO(2) by means of single crystal neutron diffraction. This system has two close magnetic phase transitions at T(N) = 24.2 K and T(mf) = 23.6 K. The low temperature magnetic structure below T(mf) is unambiguously determined to be a fully three-dimensional proper screw. Between T(N) and T(mf) antiferromagnetic order is found that is essentially two-dimensional. In this narrow temperature range, magnetic near neighbor correlations are still long range in the (H,K) plane, whereas nearest neighbors along the L direction are uncorrelated. Thus, the multiferroic state is realized only in the low temperature three-dimensional state and not in the two-dimensional state.     

Structural, dielectric and piezoelectric properties of nonlinear optical γ-glycine single crystals

Gamma glycine was synthesized and the single crystals were grown by the slow evaporation method in the presence of lithium nitrate. Structure and crystalline nature of the grown γ-glycine crystal was confirmed by X-ray diffraction technique. It was found to crystallize in the trigonal system with space group P3₁. The chemical composition was determined by NMR. Fourier transform infrared studies revealed the functional groups present in the grown crystal and UV-vis-NIR spectra revealed the transmission properties of the crystal specimen. Surface morphology of the grown crystal was studied by scanning electron microscopy (SEM) and elemental composition was confirmed by energy-dispersive spectrometry (EDS). The second-order nonlinear optical property of the material was investigated by Kurtz powder technique and the relative second harmonic efficiency of γ-glycine was estimated to be higher than that of KDP. The dielectric measurement was carried out as a function of frequencies at room temperature and the results were discussed. The samples have shown piezoelectric behavior with a fairly good piezoelectric charge coefficient (d₃₃) of 7.37 pC/N. Photoluminescence studies showed emission peak around 350 nm. Thermo gravimetric and differential thermal analyses were employed to understand the thermal and physio-chemical stability of the synthesized compound.     

First principles study of the diffusional phenomena across the clean and Re-doped γ-Ni/γ'-Ni_3Al interface of Ni-based single crystal superalloy

Density functional theory calculations in conjunction with the climbing images nudged elastic band method are conducted to study the diffusion phenomena of the Ni-based single crystal superalloys.We focus our attention on the diffusion processes of the Ni and Al atoms in the γ and γ ' phases along the direction perpendicular to the interface.The diffusion mechanisms and the expressions of the diffusion coefficients are presented.The vacancy formation energies,the migration energies,and the activation energies for the diffusing Ni and Al atoms are estimated,and these quantities display the expected and clear transition zones in the vicinity of the interface of about 3–7(002) layers.The local density-of-states profiles of atoms in each(002) layer in the γ and γ ' phases and the partial density-of-states curves of Re and some of its nearest-neighbor atoms are also presented to explore the electronic effect of the diffusion behavior.     

Free radicals in pyrimidines: E.S.R. of a γ-irradiated single crystal of 5-nitrouracil

Free radicals are observed in γ-irradiated single crystals of 5-nitrouracil with the unpaired electron showing hyperfine interaction with one nitrogen atom. The principal values of hyperfine coupling are A_x = 22·5 g, A_y = 25·2 g, and A_z = 40·0 g, and the principal values of the spectroscopic splitting factor are g_u = 2·0117, g_v = 2·0064 and g_w = 2·0027. The relationship of the directions of the corresponding principal axes to the molecular orientations show that the unpaired electron must be located in an sp ² orbital on either N₍₁₎ or N₍₅₎. Considerations of the mechanism of radical formation and comparison to radiation damage in other molecules make the N₍₁₎ location seem more probable. The π interaction of the nitro group on C₍₅₎ evidently prevents the formulation of free radicals with the unpaired electron on C₍₅₎. That carbon atom is the most common location of unpaired electron density in other pyrimidine free radicals.     

Electron spin resonance study of γ-irradiated single crystal and powder of LiH3(SeO3)2 and LiD3(SeO3)2

Gamma-irradiated monoclinic single crystals and powders of LiH₃(SeO₃)₂ and LiD₃(SeO₃)₂ have been investigated at room temperature by ESR in both the X and the Q band. Twelve species consisting of six pairs of inequivalent radicals have all been identified as SeO₂⁻-type radicals pairwise located in two different sites. The origin of the difference in the principal values of the g-tensors for the radicals is attributed to a difference between the SeO bond lengths, which in fact gives a lower symmetry of the radicals. The generation of the radicals has been explained as a rupture of a SeO bond, which can occur in six different ways due to the crystal structure. The orientations of the radicals in the crystal are different compared to corresponding SeO₂ groups in the host crystal, and this phenomenon presumably depends either on a reorientation of the radicals or on a radical reaction. One extra splitting of peaks originating from two of the radicals in LiH₃(SeO₃)₂ is absent in LiD₃(SeO₃)₂, thus indicating hydrogen bonding to the radicals.     

Giant rotating magnetocaloric effect in the region of spin-reorientation transition in the NdCo₅ single crystal

We have investigated the anisotropy of the magnetocaloric effect in a NdCo? single crystal in a wide range of temperatures, including the spin-reorientation temperature region. In the field μ(0)H =1.3 T in the spin-reorientation region 250-310 K, we discovered a giant rotating magnetocaloric effect of ~ 1.6 K, caused by rotation of the magnetization vector. The calculations of the anisotropy magnetocaloric effect for the field μ(0)H =1.3 T have been carried out.     

Crystal growth,spectral, thermal and optical properties of an organic single crystal – Dye doped hippuric acid

A new organic dye doped hippuric acid (DHA) single crystals have been grown from aqueous solution of acetone by doping with rhodamine using slow evaporation technique. Rhodamine is a dye, an organic molecule well-studied in laser physics and nonlinear optics for its fluorescent properties. Dyeing of crystals is a practice that was developed particularly for quantum optical applications because of the very significant increase in surface area achieved in growing crystals. In the present work, The DHA single crystals were successfully grown by the slow evaporation method. Good quality single crystals were harvested after 5 days. The grown crystal was characterized by various techniques namely Single crystal X-ray diffraction, FT-IR, UV–vis, NLO and thermal analysis. The FT-IR analysis confirms the presence of various functional groups available in DHA. The optical transmission study and Kurtz and Perry SHG measurement shows the suitability of doped crystals for NLO applications.     

A study of the influence of surface layers’ disordering on the spectrum of energy losses of electrons passed through copper thin single crystal films

Results of the experimental investigation of energy losses of electron passed through thin films Cu (100) with a thickness of d ≈ 420 ? at E _p = 3 keV are presented. It is revealed that the surface plasmon peak disappears at a primary electron energy of ≥6 keV. For the first time, the degree of surface amorphization and area of the disordered layer are estimated by the change of elastic peak intensity during the passage of electrons through thin films of Cu (100). There is an additional energy loss of electrons peak caused by bulk plasmon, its intensity depending on the irradiation dose under ionic bombardment.     

A precision mounting for bending the analyzing crystal in X-RAY- and γ-spectrometers

The aberrations of a bent crystal are briefly discussed. A precision mounting is described in which the analyzing crystal is bent elastically. The asymmetrical broadening of the spectral lines is corrected by de Wolffs' method viz. giving the curvature a constant gradient in the plane of incidence by exerting unequal moments on the ends of the crystal. Aberrations due to secondary curvature are avoided by giving the crystal a toroidal shape. An optical inspection method to test the bending is described.     

The 2000 Å absorption system of the benzene single crystal in polarized light

The 2000 Å absorption system in the benzene single crystal is investigated at liquid nitrogen temperature. The analysis of the polarized spectra recorded along b and c in (100) plates appears to be not in favour of the assignment of the π* └π system to an upper state of B _1u symmetry, and it is not in contrast with the hypothesis of a ¹ E _2g upper state.

The first band in the system, located at 46 565 cm^-1, and totally polarized along c, is discussed in terms either of an out-of-plane false origin of the ¹ E _2g └¹ A _1g system, or of a new transition lying between the first two well known π-systems of benzene, possibly of π* └σ type.