Crystallographic and conformational analysis of 1,3-bis(2,4-dimethoxyphenyl)imidazolidine-2-thione

The molecular and crystal structures of the title compound, C₁₉H₂₂N₂O₄S, were determined by single crystal X-ray diffraction technique. The title compound crystallizes in space group F d d 2, with a = 30.785(3) ?, b = 10.6455(9) ?, c = 11.0036(8) ?, Z = 8, D _calc = 1.379(2) g cm⁻³, μ(Mo-K_α) = 0.207 mm⁻¹, and its crystal system is orthorhombic. The structure was solved by direct methods and refined to a final R = 0.042 for 1530 reflections with I > 2σ (I). There is a half-independent molecule in the asymmetric unit. The title molecule has twofold rotational symmetry along with the C–S bond. Classically no hydrogen bond is found in the crystal structure. The crystal structure is stabilized by π–π stacking and edge to face (C–H…π-ring) interactions. To elucidate conformational features and steric hindrances of the title molecule, selected torsion angle is varied from −180° to +180° in every 10° and thus molecular energy profile is calculated by PM3 semi-empirical method.Supplementary materials CCDC 261789 contains the supplementary crystallographic data for this paper. These data can be obtained free of charge via www.ccdc.cam.ac.uk/data_request/cif, by emailing data_request@ccdc.cam.ac.uk, or by contacting The Cambridge Crystallographic Data Centre, 12, Union Road, Cambridge CB2 1EZ, UK; fax: $+$44 1223 336033.     

Angular Dependence of L X-ray Relative Intensities of Uranium and Thorium at 59.5 keV

INTRODUCTION

The knowledge of relative intensities of K, L and higher shell X-rays is needed for the investigation of various phenomena in atomic physics. In earlier studies, L X-ray relative intensities and energies have been reported for many elements by several investigators [1–5], but the angular dependence of L X-ray relative intensity has not been reported. According to Flugge et a1 [6], if the angular momentum J=1/2 and J>1/2 of the originating shell, then the angular distribution of X-rays is isotropic and anisotropic, respectively. From this idea, L_α, L_l and some of L_β, intensities are dependent on changing the scattering angles. In this study, we have measured the angular dependence of L_α, La_l, L_α/L_β, and L_α/L_γ, intensity ratios of U and Th at different angles varying from 45° to 135°.     

Synthesis and characterization of conductive silver ink for electrode printing on cellulose film

Silver nanoparticles with size less than 50 nm were synthesized from silver nitrate, polyvinylpyrrolidone (PVP) and ethylene glycol, where these chemicals acted as metal precursor, stabilizer and reducing agent, respectively. Then a conductive silver ink was prepared with a suitable solvent by adding a viscosifier, hydroxyethyl-cellulose (HEC), and a surfactant, diethylene glycol (DEG). The combined effect of both viscosifier and surfactant on the physical property of the silver ink was analyzed by measuring the contact angle of the silver ink on a cellulose film. Moreover, the influences of PVP molecular weight and reaction temperature on the size of the silver nanoparticles were analyzed. Then the silver ink was coated on the cellulose film by spin coating and the effects of different solvents, sintering temperatures and solid contents on its electrical resistivity were examined. It was found that, with 50 % co-solvent of deionized water and DEG and solid content of around 50 %, the silver ink exhibited the lowest resistivity. This ink can be used for inkjet printing of conductive patterns on cellulose films.     

ESR spectroscopic investigation of gamma-irradiated lithium trifluoromethanesulfonate

ABSTRACT

The effect of gamma radiation on lithium trifluoromethanesulfonate (LiTf) was investigated in detail using electron spin resonance (ESR) spectroscopy. The experimental spectra consisted of complex overlapped signals. Simulations of both the 1st- and 10th-day ESR spectra gave valuable information about the spectroscopic and structural features of radiation-induced radicals. More information about the qualitative and quantitative features of the radicals were gathered from the microwave power, storage time and dosimetric feature findings. In the light of the information obtained, four radicals were accepted to be produced after irradiation of LiTf.     

Microstructure holey fibers as wideband dispersion compensating media for high speed transmission system

This paper presents a dispersion compensating microstructure holey fiber for wideband transmission system. The finite element method with perfectly matched absorbing layers boundary condition is used to investigate the guiding properties. According to simulation, negative dispersion coefficient of −1455 ps/(nm km) and a relative dispersion slope (RDS) close to that of single mode fiber of about 0.0036 nm⁻¹ is obtained at 1.55 μm. The variation of structural parameters is also studied to evaluate the tolerance of the fabrication. The proposed module can be used in 40 Gb/s dense wavelength division multiplexing (DWDM) systems in optical fiber communication networks.     

Improvement in thermal conductivity of paraffin by adding high aspect-ratio carbon-based nano-fillers

Molecular dynamics simulations have been utilized to study thermal conductivity of liquid and solid mixtures of paraffin and carbon-based high aspect-ratio nano-additives, i.e. carbon nanotubes and graphene. In agreement with existing experimental data, we observe high enhancement in thermal conductivity through adding these graphitic nano-additives into paraffin, particularly in the solid phase. We demonstrate that this significant improvement is mainly achieved by the enhancement in thermal conductivity of the matrix itself. This is caused by carbon nanotubes and graphene promoting ordering of the matrix molecules which consequently leads to improvement of its thermal conductivity.     

MEH-PPV/Alq_3-based bulk heterojunction photodetector

In this paper, we present the effect of varied illumination levels on the electrical properties of the organic blend bulk heterojuction （BHJ） photodiode. To prepare the BHJ blend, poly（2-methoxy-5（2P-ethylhexyloxy） phenyleneviny- lene （MEH-PPV） and aluminum-tris-（8-hydroxyquinoline） （Alq3） are used as donor and acceptor materials, respectively. In order to fabricate the photodiode, a 40-nm thick film of poly（3, 4-ethylendioxytbiophene）：poly（styrensulfonate） （PE- DOT：PSS） is primarily deposited on a cleaned ITO coated glass substrate by spin coating technique. The organic photo- sensitive blend is later spun coated on the PEDOT：PSS layer, followed by the lithium fluoride （LiF） and aluminium （A1） thin films deposition by thermal evaporation. The optical properties of the MEH-PPV：Alq3 blend thin films are investigated using photoluminescence （PL） and UV-Vis spectroscopy. The photodiode shows good photo-current response as a function of variable illumination levels. The responsivity value - 8 mA/W at 3 V is found and the ratio of photo-current to dark current （lph/IDark） is found to be 1.24.     

An Alternative Synthesis of the Dopaminergic Drug 2‐Amino‐1,2,3,4‐tetrahydronaphthalene‐5,6‐diol (5,6‐ADTN)

Racemic 2‐amino‐1,2,3,4‐tetrahydronaphthalene‐5,6‐diol (5,6‐ADTN; 4 ) was synthesized from 5,6‐dimethoxynaphthalene‐2‐carboxylic acid ( 14 ) in four steps (60% overall yield; Scheme). The crucial steps of the synthesis are Birch reduction of 14 to the valuable synthon 15 , Curtius reaction and carbamate formation ( 16 ), hydrogenolysis ( 17 ), and demethylation to the biologically active hydrobromide salt 18 of 4 .