Sample records for quaterphenyls

  1. Substrate structure dependence of the growth modes of p-quaterphenyl thin films on gold

    International Nuclear Information System (INIS)

    Muellegger, S.; Mitsche, S.; Poelt, P.; Haenel, K.; Birkner, A.; Woell, C.; Winkler, A.


    The variably oriented crystallite surfaces of a recrystallized polycrystalline gold sample served as substrates for the investigation of the structure dependence of p-quaterphenyl (4P) thin film growth. The films were prepared in ultrahigh vacuum by organic molecular beam evaporation. Optical microscopy, scanning electron microscopy, combined with laterally resolved electron backscatter diffraction and scanning tunnelling microscopy have been applied to determine the correlation between the substrate surface structure and 4P film morphology. Crystallite surfaces consisting of (110) terraces favour highly anisotropic needle-like 4P growth with the needle orientation normal to the Au directions. Atomic steps on vicinal planes with narrow terraces (< 2 nm) can also induce anisotropy in the 4P thin film growth, in particular elongated 4P islands normal to the step direction. In contrast to that, a nearly isotropic distribution of the needle orientations is observed on Au grains terminated by highly symmetric (111) or (100) crystal planes. Additionally, patches of continuous 4P layers can be found on these surfaces. There is strong evidence that the 4P molecules within the needle-like crystallites are oriented parallel to the Au surface, whereas for the continuous layers the 4P molecules are oriented nearly upright on the surface

  2. Synthesis of Substituted Linear Ter- and Quaterphenyls via Dewar Benzenes

    Czech Academy of Sciences Publication Activity Database

    Janková, Š.; Hybelbauerová, S.; Kotora, Martin

    -, č. 3 (2011), s. 396-398 ISSN 0936-5214 Grant - others:GA MŠk(CZ) LC06070; GA AV ČR(CZ) IAA401110805 Program:LC Institutional research plan: CEZ:AV0Z40550506 Keywords : dewar benzene * alkynes * cyclobutadiene * polycycles * metallacycles Subject RIV: CC - Organic Chemistry Impact factor: 2.710, year: 2011

  3. Metallic Contact Formation for Molecular Electronics : Interactions between Vapor-Deposited Metals and Self-Assembled Monolayers of Conjugated Mono- and Dithiols

    NARCIS (Netherlands)

    Boer, Bert de; Frank, Martin M.; Chabal, Yves J.; Jiang, Weirong; Garfunkel, Eric; Bao, Zhenan


    We present grazing-incidence Fourier transform infrared and AFM data of Au, Al, and Ti vapor-deposited onto self-assembled monolayers (SAMs) of conjugated mono- and dithiols. SAMs of 4,4'''-dimercapto-p-quaterphenyl, 4,4''-dimercapto-p-terphenyl, and 4,4'-dimercapto-p-biphenyl have reactive thiols

  4. 4P-NPD ultra thin-films as efficient exciton blocking layers in DBP/C70 based organic solar cells

    DEFF Research Database (Denmark)

    Patil, Bhushan Ramesh; Liu, Yiming; Qamar, Talha


    Exciton blocking effects from ultra thin layers of N,N'-di-1-naphthalenyl-N,N'-diphenyl [1,1':4',1'':4'',1'''-quaterphenyl]-4,4'''-diamine (4P-NPD) was investigated in small molecule based inverted Organic Solar Cells (OSCs) using Tetraphenyldibenzoperiflanthene (DBP) as the electron donor material...... and fullerene (C70) as the electron acceptor material. The short-circuit current density (Jsc) and PCE of the optimized OSCs with 0.7 nm thick 4P-NPD were approx. 16 % and 24 % higher, respectively, compared to reference devices without exciton blocking layers. Drift diffusion based device modeling...... was conducted to model the full Current density – Voltage (JV) characteristics and EQE spectrum of the OSCs, and photoluminescence measurements was conducted to investigate the exciton blocking effects with increasing thicknesses of the 4P-NPD layer. Importantly, coupled optical and electrical modeling studies...

  5. Extreme Ultraviolet Solar Images Televised In-Flight with a Rocket-Borne SEC Vidicon System. (United States)

    Tousey, R; Limansky, I


    A TV image of the entire sun while an importance 2N solar flare was in progress was recorded in the extreme ultraviolet (XUV) radiation band 171-630 A and transmitted to ground from an Aerobee-150 rocket on 4 November 1969 using S-band telemetry. The camera tube was a Westinghouse Electric Corporation SEC vidicon, with its fiber optic faceplate coated with an XUV to visible conversion layer of p-quaterphenyl. The XUV passband was produced by three 1000-A thick aluminum filters in series together with the platinized reflecting surface of the off-axis paraboloid that imaged the sun. A number of images were recorded with integration times between 1/30 see and 2 sec. Reconstruction of pictures was enhanced by combining several to reduce the noise.

  6. Chain-length-dependent intermolecular packing in polyphenylenes: a high pressure study

    CERN Document Server

    Heimel, G; Oehzelt, M; Hummer, K; Koppelhuber-Bitschnau, B; Porsch, F; Ambrosch-Draxl, C; Resel, R


    We report on pressure-induced structural changes in crystalline oligo(para-phenylenes) containing two to six phenyl rings. The results are discussed with particular emphasis put on the implications these changes in intermolecular distances and molecular arrangement have on important bulk properties of this class of materials, such as optical response and charge transport. We performed energy dispersive x-ray diffraction in a systematic study on polycrystalline powders of biphenyl, para-terphenyl, p-quaterphenyl, p-quinquephenyl and p-sexiphenyl under hydrostatic pressure up to 60 kbar. Revisiting the crystal structures at ambient conditions reveals details in the packing principle. A linear relationship between the density at ambient conditions and the number of phenyl rings is found. High pressure data not only yields pressure-dependent lattice parameters and hints towards pressure-induced changes in the molecular arrangement but also allows for an analysis of the equations of state of these substances as a ...

  7. Electronic states of aryl radical functionalized graphenes: Density functional theory study (United States)

    Tachikawa, Hiroto; Kawabata, Hiroshi


    Functionalized graphenes are known as a high-performance molecular device. In the present study, the structures and electronic states of the aryl radical functionalized graphene have been investigated by the density functional theory (DFT) method to elucidate the effects of functionalization on the electronic states of graphene (GR). Also, the mechanism of aryl radical reaction with GR was investigated. The benzene, biphenyl, p-terphenyl, and p-quaterphenyl radicals [denoted by (Bz) n (n = 1-4), where n means numbers of benzene rings in aryl radical] were examined as aryl radicals. The DFT calculation of GR-(Bz) n (n = 1-4) showed that the aryl radical binds to the carbon atom of GR, and a C-C single bond was formed. The binding energies of aryl radicals to GR were calculated to be ca. 6.0 kcal mol-1 at the CAM-B3LYP/6-311G(d,p) level. It was found that the activation barrier exists in the aryl radical addition: the barrier heights were calculated to be 10.0 kcal mol-1. The electronic states of GR-(Bz) n were examined on the basis of theoretical results.

  8. 4P-NPD ultra-thin films as efficient exciton blocking layers in DBP/C70 based organic solar cells (United States)

    Patil, Bhushan R.; Liu, Yiming; Qamar, Talha; Rubahn, Horst-Günter; Madsen, Morten


    Exciton blocking effects from ultra-thin layers of N,N‧-di-1-naphthalenyl-N,N‧-diphenyl [1,1‧:4‧,1″:4″,1‴-quaterphenyl]-4,4‴-diamine (4P-NPD) were investigated in small molecule-based inverted organic solar cells (OSCs) using tetraphenyldibenzoperiflanthene as the electron donor material and fullerene (C70) as the electron acceptor material. The short-circuit current density (J SC) and power conversion efficiency (PCE) of the optimized OSCs with 0.7 nm thick 4P-NPD were approximately 16% and 24% higher, respectively, compared to reference devices without exciton blocking layers (EBLs). Drift diffusion-based device modeling was conducted to model the full current density-voltage (JV) characteristics and external quantum efficiency spectrum of the OSCs, and photoluminescence measurements were conducted to investigate the exciton blocking effects with increasing thicknesses of the 4P-NPD layer. Importantly, coupled optical and electrical modeling studies of the device behaviors and exciton generation rates and densities in the active layer for different 4P-NPD layer thicknesses were conducted, in order to gain a complete understanding of the observed increase in PCE for 4P-NPD layer thicknesses up to 1 nm, and the observed decrease in PCE for layer thicknesses beyond 1 nm. This work demonstrates a route for guiding the integration of EBLs in OSC devices.

  9. Interfacial layers and semi-transparent electrodes for large area flexible organic photovoltaics

    DEFF Research Database (Denmark)

    Patil, Bhushan Ramesh

    the exciton recombination and charge carrier losses in the devices. I report on the implementation of a novel exciton blocking layer of an intrinsic organic material, ‘N,N'-di-1-naphthalenyl-N,N'-diphenyl [1,1':4',1'':4'',1‴-quaterphenyl]-4,4‴-diamine (4P-NPD)’, in organic small molecule-based OPVs. Using...... this interlayer, the efficiency of OPV devices increased by approx. 24 % compared to reference devices. I also report on the use the use of electron transport layer of organic material ‘2,9-Dimethyl-4,7-diphenyl-1,10-phenanthroline (Bathocuproine, BCP)’ for inverted small molecule-based lab-scale and up......-scaled OPVs. The pronounced clustering of the BCP layer lead to increasing discrepancies in the device performance with the increase in the device size, which disqualifies it for use of in the inverted large area OPVs. The second section deals with up-scaling of highly conductive semi-transparent electrodes...

  10. Multiple Multidentate Halogen Bonding in Solution, in the Solid State, and in the (Calculated) Gas Phase. (United States)

    Jungbauer, Stefan H; Schindler, Severin; Herdtweck, Eberhardt; Keller, Sandro; Huber, Stefan M


    The binding properties of neutral halogen-bond donors (XB donors) bearing two multidentate Lewis acidic motifs toward halides were investigated. Employing polyfluorinated and polyiodinated terphenyl and quaterphenyl derivatives as anion receptors, we obtained X-ray crystallographic data of the adducts of three structurally related XB donors with tetraalkylammonium chloride, bromide, and iodide. The stability of these XB complexes in solution was determined by isothermal titration calorimetry (ITC), and the results were compared to X-ray analyses as well as to calculated binding patterns in the gas phase. Density functional theory (DFT) calculations on the gas-phase complexes indicated that the experimentally observed distortion of the XB donors during multiple multidentate binding can be reproduced in 1:1 complexes with halides, whereas adducts with two halides show a symmetric binding pattern in the gas phase that is markedly different from the solid state structures. Overall, this study demonstrates the limitations in the transferability of binding data between solid state, solution, and gas phase in the study of complex multidentate XB donors. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  11. Characteristics of organic matter in PM2.5 from an e-waste dismantling area in Taizhou, China. (United States)

    Gu, Zeping; Feng, Jialiang; Han, Wenliang; Wu, Minghong; Fu, Jiamo; Sheng, Guoying


    Solvent extractable organic compounds in PM(2.5) samples collected in Taizhou, a city famous for its electrical and electronic waste (e-waste) recycling industry in Zhejiang province of China, were analyzed to identify the main emission sources based on molecular markers. Two types of plastics which were most frequently contained in the e-wastes, wires/cables and plastic blocks, were burned in the lab and the particles emitted analyzed. The concentrations of PAHs and phthalate esters at the e-waste dismantling area during our sampling periods were about two times of that at the reference urban site, indicating the high pollution level there. The high concentrations of quaterphenyl found at the dismantling area indicated that burning of plastics or polymers was an important emission source of the PAHs in the fine particles. The diagnostic analysis based on the compositions of alkanes, hopanes and other molecular markers showed that engine exhaust, biomass burning and kitchen emissions were also important emission sources at the e-waste dismantling area. Our results suggested that more effort should be paid to control the correlative emission sources such as transportation and kitchen to achieve better air quality at the e-waste dismantling area besides regulating the recycling activities. Copyright 2010 Elsevier Ltd. All rights reserved.

  12. Reassembling and testing of a high-precision heat capacity drop calorimeter. Heat capacity of some polyphenyls at T = 298.15 K

    Energy Technology Data Exchange (ETDEWEB)

    Santos, Luis M.N.B.F., E-mail: [Centro de Investigacao em Quimica, Departamento de Quimica e Bioquimica, Faculdade de Ciencias, Universidade do Porto, Rua do Campo Alegre, 687, 4169-007 Porto (Portugal); Rocha, Marisa A.A.; Rodrigues, Ana S.M.C. [Centro de Investigacao em Quimica, Departamento de Quimica e Bioquimica, Faculdade de Ciencias, Universidade do Porto, Rua do Campo Alegre, 687, 4169-007 Porto (Portugal); Stejfa, Vojtech; Fulem, Michal [Department of Physical Chemistry, Institute of Chemical Technology, Technicka 5, CZ-166 28 Prague 6 (Czech Republic); Bastos, Margarida [Centro de Investigacao em Quimica, Departamento de Quimica e Bioquimica, Faculdade de Ciencias, Universidade do Porto, Rua do Campo Alegre, 687, 4169-007 Porto (Portugal)


    Graphical abstract: Highlights: > We present the reassembling, improvement and testing of a high-precision C{sub p} drop calorimeter. > The apparatus was tested, using benzoic acid and hexafluorobenzene. > The high sensitivity of the apparatus is comparable to the one obtained in adiabatic calorimetry. > Heat capacities at T = 298.15 K of some polyphenyls were measured. > Subtle heat capacity differences among position isomers (ortho, meta, para) were detected. - Abstract: The description of the reassembling and testing of a twin heat conduction, high-precision, drop microcalorimeter for the measurement of heat capacities of small samples are presented. The apparatus, originally developed and used at the Thermochemistry Laboratory, Lund, Sweden, has now been reassembled and modernized, with changes being made as regarding temperature sensors, electronics and data acquisition system. The apparatus was thereafter thoroughly tested, using benzoic acid and hexafluorobenzene as test substances. The accuracy of the C{sub p,m}{sup 0} (298.15 K) data obtained with this apparatus is comparable to that achieved by high-precision adiabatic calorimetry. Here we also present the results of heat capacity measurements on of some polyphenyls (1,2,3-triphenylbenzene, 1,3,5-triphenylbenzene, p-terphenyl, m-terphenyl, o-terphenyl, p-quaterphenyl) at T = 298.15 K, measured with the renewed high precision heat capacity drop calorimeter system. The high resolution and accuracy of the obtained heat capacity data enabled differentiation among the ortho-, meta-, and para-phenyl isomers.

  13. The impact of co-combustion of polyethylene plastics and wood in a small residential boiler on emissions of gaseous pollutants, particulate matter, PAHs and 1,3,5- triphenylbenzene. (United States)

    Tomsej, Tomas; Horak, Jiri; Tomsejova, Sarka; Krpec, Kamil; Klanova, Jana; Dej, Milan; Hopan, Frantisek


    The aim of this study was to simulate a banned but widely spread practice of co-combustion of plastic with wood in a small residential boiler and to quantify its impact on emissions of gaseous pollutants, particulate matter (PM), polycyclic aromatic hydrocarbons (PAHs), and 1,3,5-triphenylbenzene (135TPB), a new tracer of polyethylene plastic combustion. Supermarket polyethylene shopping bags (PE) and polyethylene terephthalate bottles (PET) were burnt as supplementary fuels with beech logs (BL) in an old-type 20 kW over-fire boiler both at a nominal and reduced heat output. An impact of co-combustion was more pronounced at the nominal heat output: an increase in emissions of PM, total organic carbon (TOC), toxic equivalent (TEQ) of 7 carcinogenic PAHs (c-PAHs) and a higher ratio of c-PAHs TEQ in particulate phase was observed during co-combustion of both plastics. 135TPB was found in emissions from both plastics both at a nominal and reduced output. In contrast to findings reported in the literature, 135TPB was a dominant compound detected by mass spectrometry on m/z 306 exclusively in emissions from co-combustion of PE. Surprisingly, six other even more abundant compounds of unknown identity were found on this m/z in emissions from co-combustion of PET. One of these unknown compounds was identified as p-quaterphenyl (pQ). Principal component analysis revealed strong correlation among 135TPB, pQ and five unknown compounds. pQ seems to be suitable tracers of polyethylene terephthalate plastic co-combustion, while 135TPB proved its suitability to be an all-purpose tracer of polyethylene plastics combustion. Copyright © 2017 Elsevier Ltd. All rights reserved.