WorldWideScience

Sample records for ivth group organometallic

  1. Using Molecular Modeling in Teaching Group Theory Analysis of the Infrared Spectra of Organometallic Compounds

    Science.gov (United States)

    Wang, Lihua

    2012-01-01

    A new method is introduced for teaching group theory analysis of the infrared spectra of organometallic compounds using molecular modeling. The main focus of this method is to enhance student understanding of the symmetry properties of vibrational modes and of the group theory analysis of infrared (IR) spectra by using visual aids provided by…

  2. The synthesis and properties of some organometallic compounds containing group IV (Ge, Sn)-group II (Zn, Cd) metal---metal bonds

    NARCIS (Netherlands)

    Des Tombe, F.J.A.; Kerk, G.J.M. van der; Creemers, H.M.J.C.; Carey, N.A.D.; Noltes, J.G.

    1972-01-01

    The reactions of triphenylgermane and triphenyltin hydride with coordinatively saturated organozinc or organocadmium compounds give organometallic complexes containing Group IV (Ge, Sn)-Group II(Zn, Cd) metal---metal bonds. The 2,2′-bipyridine complexes show solvent-dependent charge-transfer

  3. New labeling methods via organometallic species: new synthesis of a chiral methyl group

    International Nuclear Information System (INIS)

    Faucher, Nicolas

    2000-01-01

    Chapter 1: New labeling methods via organometallic species. In the first part of this work, we have developed a new labeling strategy based on the hydrogenolysis of organolithium compounds with tritium gas or deuterium gas. This reaction is catalyzed with palladium on charcoal and leads to the labelled compounds with direct replacement of the proton by its isotopes ("2H or "3H) without further chemical modification of the target molecule. Using this strategy, tritium or deuterium atoms can be introduced in a region but also in a stereoselective fashion with more than 90% ee. The former result was obtained using (-)-sparteine during the lithiation step. Chapter II: New synthesis of a chiral methyl group. In the second part of this work, we have developed a new synthetic method to prepare chiral ditosyl-methylamine using 4,5-disubstituted oxazolidines. Dia-stereoselective substitution of the methoxy group of a 2-alkoxy-oxazolidine by a deuteride in the presence of a Lewis acid leads to the 2-deutero-oxazolidine in a highly stereoselective fashion (de = 100%). Still using a lewis acid, a tritiated hydride open the former 2-deutero-oxazolidine to afford chiral methyl group borne by the nitrogen. Further de-protection and re-protection steps lead to the ditosyl-methylamine with an ee of 65% (RIS= 83/17). Nowadays, this is the best known synthetic method, not only in terms of enantioselectivity but also in terms of chemical yield and number of radioactive steps. As NTs_2 is a fairly good leaving group, the ditosyl-methylamine offers the possibility of introducing chiral methyl group in many substrates using a S_N2 reaction with various nucleophiles. This last point leads to many potential applications in the field of biochemistry or for mechanical studies. (author) [fr

  4. Organometallic compounds of the 2-6 group elements of periodic system as perspective substances for microelectrnics

    International Nuclear Information System (INIS)

    Fedorov, V.A.

    1986-01-01

    Results of investigating methods of preparation and analysis of organometallic compounds (OMC) of the 2B-6B group elements, behaviour of microimpurities in the process of their complete purification, physical-chemical properties for developing rational flowsheets of OMC purification are presented. Results of microimpurities quantitative transition from OMC to gallium arsenide epitaxial layers are presented. Prospects for OMC application in microelectronics are discussed

  5. IVth Azores International Advanced School in Space Sciences

    CERN Document Server

    Santos, Nuno; Monteiro, Mário

    2018-01-01

    This book presents the proceedings of the IVth Azores International Advanced School in Space Sciences entitled "Asteroseismology and Exoplanets: Listening to the Stars and Searching for New Worlds". The school addressed the topics at the forefront of scientific research being conducted in the fields of asteroseismology and exoplanetary science, two fields of modern astrophysics that share many synergies and resources. These proceedings comprise the contributions from 18 invited lecturers, including both monographic presentations and a number of hands-on tutorials.

  6. Organometallic compounds in the environment

    National Research Council Canada - National Science Library

    Craig, P. J

    2003-01-01

    ... of Organometallic Species in the Environment 20 1.10 Stability of Organometallic Compounds in Biological Systems 1.11 G eneral Comments on the Toxicities of Organometallic Compounds 22 1.12 General Considerations on Environmental R eactivity of Organometallic Compounds 24 1.13 Microbial Biotransformation of Metals and M etalloids 25 1.13.1 Introduction 25 1...

  7. Neutron radiation characteristics of the IVth generation reactor spent fuel

    Science.gov (United States)

    Bedenko, Sergey; Shamanin, Igor; Grachev, Victor; Knyshev, Vladimir; Ukrainets, Olesya; Zorkin, Andrey

    2018-03-01

    Exploitation of nuclear power plants as well as construction of new generation reactors lead to great accumulation of spent fuel in interim storage facilities at nuclear power plants, and in spent fuel «wet» and «dry» long-term storages. Consequently, handling the fuel needs more attention. The paper is focused on the creation of an efficient computational model used for developing the procedures and regulations of spent nuclear fuel handling in nuclear fuel cycle of the new generation reactor. A Thorium High-temperature Gas-Cooled Reactor Unit (HGTRU, Russia) was used as an object for numerical research. Fuel isotopic composition of HGTRU was calculated using the verified code of the MCU-5 program. The analysis of alpha emitters and neutron radiation sources was made. The neutron yield resulting from (α,n)-reactions and at spontaneous fission was calculated. In this work it has been shown that contribution of (α,n)-neutrons is insignificant in case of such (Th,Pu)-fuel composition and HGTRU operation mode, and integral neutron yield can be approximated by the Watt spectral function. Spectral and standardized neutron distributions were achieved by approximation of the list of high-precision nuclear data. The distribution functions were prepared in group and continuous form for further use in calculations according to MNCP, MCU, and SCALE.

  8. 2012 Gordon Research Conference, Organometallic Chemistry, 8-13 2012

    Energy Technology Data Exchange (ETDEWEB)

    Hillhouse, Gregory [Univ. of Chicago, IL (United States)

    2012-07-13

    The 2012 Organometallic Chemistry Gordon Research Conference will highlight new basic science and fundamental applications of organometallic chemistry in industrial, academic, and national lab settings. Scientific themes of the conference will include chemical synthesis, reactivity, catalysis, polymer chemistry, bonding, and theory that involve transition-metal (and main-group) interactions with organic moieties.

  9. Rhenium and technetium: application of organometallic rhenium and technetium complexes in radiopharmacy. Evaluation of optimal anchor groups

    International Nuclear Information System (INIS)

    Alberto, R.; Schibli, R.; Egli, A.; Schaffland, A.; Rattat, D.; Mueller, J.; Iftimia, M.; Berke, H.; Kaden, T.A.; Abram, U.

    1997-01-01

    The coordinative properties of the '[fac-M(CO) 3 ] + ' moiety (M= 188 Re, Re, 99 Tc and 99m Tc) have been investigated in water and organic solvents in order to evaluate the anchor group attached to antibodies, small peptides and biologically active molecules. The preparation of [M(OH 2 ) 3 (CO) 3 ] + has been improved in a way that this complex can be prepared from a Kit formulation. The '[fac-M(CO) 3 ] + ' has been transformed to the '[fac-M(NO)(CO) 2 ] 2+ ' moiety to achieve higher direct labelling yields and faster incorporation kinetics. (author) 5 figs

  10. Peroxide organometallic compounds and their transformations

    International Nuclear Information System (INIS)

    Razuvaev, G.A.; Brilkina, T.G.

    1976-01-01

    A survey is given experimental works on synthesis and reactions of peroxide organometallic compounds. Reactions have been considered of organometallic compounds with oxygen and organic peroxides which result in formation of both peroxide and non-peroxide products. Possible routes and mechanisms of chemical transformations of peroxide organometallic compounds have been discussed. Reactions of organometallic compounds with oxygen and peroxides have been considered

  11. Organometallics Roundtable 2011

    Energy Technology Data Exchange (ETDEWEB)

    Gladysz, John A.; Ball, Zachary T.; Bertrand, Guy; Blum, Suzanne A.; Dong, Vy M.; Dorta, Reto; Hahn, F. Ekkehardt; Humphrey, Mark; Jones, William D.; Klosin, Jerzy; Manners, Ian; Marks, Tobin J.; Mayer, James M.; Rieger, Bernhard; Ritter, Joachim C.; Sattelberger, Alfred P.; Schomaker, Jennifer M.; Wing-Wah Yam, Vivian

    2012-01-09

    We are living in an era of unprecedented change in academic, industrial, and government-based research worldwide, and navigating these rough waters requires "all hands on deck". Toward this end, Organometallics has assembled a panel of seventeen experts who share their thoughts on a variety of matters of importance to our field. In constituting this panel, an attempt was made to secure representation from a number of countries and career stages, as well as from industry. We were fortunate that so many busy experts could take the time to spend with us. The following pages constitute an edited transcript of the panel discussion held on August 29, 2011, which was structured around the 10 questions summarized in the side bar and repeated below.

  12. Organometallic Chemistry. Final Progress Report

    Energy Technology Data Exchange (ETDEWEB)

    Wolczanski, Peter [Cornell Univ., Ithaca, NY (United States)

    2003-07-14

    The Gordon Research Conference (GRC) on Organometallic Chemistry was held at Salve Regina, Newport, Rhode Island, 7/21-26/02. Emphasis was placed on current unpublished research and discussion of the future target areas in this field.

  13. Organometallic chemistry of metal surfaces

    International Nuclear Information System (INIS)

    Muetterties, E.L.

    1981-06-01

    The organometallic chemistry of metal surfaces is defined as a function of surface crystallography and of surface composition for a set of cyclic hydrocarbons that include benzene, toluene, cyclohexadienes, cyclohexene, cyclohexane, cyclooctatetraene, cyclooctadienes, cyclooctadiene, cycloheptatriene and cyclobutane. 12 figures

  14. Half-metallicity in 2D organometallic honeycomb frameworks

    Science.gov (United States)

    Sun, Hao; Li, Bin; Zhao, Jin

    2016-10-01

    Half-metallic materials with a high Curie temperature (T C) have many potential applications in spintronics. Magnetic metal free two-dimensional (2D) half-metallic materials with a honeycomb structure contain graphene-like Dirac bands with π orbitals and show excellent aspects in transport properties. In this article, by investigating a series of 2D organometallic frameworks with a honeycomb structure using first principles calculations, we study the origin of forming half-metallicity in this kind of 2D organometallic framework. Our analysis shows that charge transfer and covalent bonding are two crucial factors in the formation of half-metallicity in organometallic frameworks. (i) Sufficient charge transfer from metal atoms to the molecules is essential to form the magnetic centers. (ii) These magnetic centers need to be connected through covalent bonding, which guarantee the strong ferromagnetic (FM) coupling. As examples, the organometallic frameworks composed by (1,3,5)-benzenetricarbonitrile (TCB) molecules with noble metals (Au, Ag, Cu) show half-metallic properties with T C as high as 325 K. In these organometallic frameworks, the strong electronegative cyano-groups (CN groups) drive the charge transfer from metal atoms to the TCB molecules, forming the local magnetic centers. These magnetic centers experience strong FM coupling through the d-p covalent bonding. We propose that most of the 2D organometallic frameworks composed by molecule—CN—noble metal honeycomb structures contain similar half metallicity. This is verified by replacing TCB molecules with other organic molecules. Although the TCB-noble metal organometallic framework has not yet been synthesized, we believe the development of synthesizing techniques and facility will enable the realization of them. Our study provides new insight into the 2D half-metallic material design for the potential applications in nanotechnology.

  15. Half-metallicity in 2D organometallic honeycomb frameworks

    International Nuclear Information System (INIS)

    Sun, Hao; Li, Bin; Zhao, Jin

    2016-01-01

    Half-metallic materials with a high Curie temperature (T C ) have many potential applications in spintronics. Magnetic metal free two-dimensional (2D) half-metallic materials with a honeycomb structure contain graphene-like Dirac bands with π orbitals and show excellent aspects in transport properties. In this article, by investigating a series of 2D organometallic frameworks with a honeycomb structure using first principles calculations, we study the origin of forming half-metallicity in this kind of 2D organometallic framework. Our analysis shows that charge transfer and covalent bonding are two crucial factors in the formation of half-metallicity in organometallic frameworks. (i) Sufficient charge transfer from metal atoms to the molecules is essential to form the magnetic centers. (ii) These magnetic centers need to be connected through covalent bonding, which guarantee the strong ferromagnetic (FM) coupling. As examples, the organometallic frameworks composed by (1,3,5)-benzenetricarbonitrile (TCB) molecules with noble metals (Au, Ag, Cu) show half-metallic properties with T C as high as 325 K. In these organometallic frameworks, the strong electronegative cyano-groups (CN groups) drive the charge transfer from metal atoms to the TCB molecules, forming the local magnetic centers. These magnetic centers experience strong FM coupling through the d – p covalent bonding. We propose that most of the 2D organometallic frameworks composed by molecule—CN—noble metal honeycomb structures contain similar half metallicity. This is verified by replacing TCB molecules with other organic molecules. Although the TCB-noble metal organometallic framework has not yet been synthesized, we believe the development of synthesizing techniques and facility will enable the realization of them. Our study provides new insight into the 2D half-metallic material design for the potential applications in nanotechnology. (paper)

  16. Organometallic neptunium(III) complexes

    Science.gov (United States)

    Dutkiewicz, Michał S.; Farnaby, Joy H.; Apostolidis, Christos; Colineau, Eric; Walter, Olaf; Magnani, Nicola; Gardiner, Michael G.; Love, Jason B.; Kaltsoyannis, Nikolas; Caciuffo, Roberto; Arnold, Polly L.

    2016-08-01

    Studies of transuranic organometallic complexes provide a particularly valuable insight into covalent contributions to the metal-ligand bonding, in which the subtle differences between the transuranium actinide ions and their lighter lanthanide counterparts are of fundamental importance for the effective remediation of nuclear waste. Unlike the organometallic chemistry of uranium, which has focused strongly on UIII and has seen some spectacular advances, that of the transuranics is significantly technically more challenging and has remained dormant. In the case of neptunium, it is limited mainly to NpIV. Here we report the synthesis of three new NpIII organometallic compounds and the characterization of their molecular and electronic structures. These studies suggest that NpIII complexes could act as single-molecule magnets, and that the lower oxidation state of NpII is chemically accessible. In comparison with lanthanide analogues, significant d- and f-electron contributions to key NpIII orbitals are observed, which shows that fundamental neptunium organometallic chemistry can provide new insights into the behaviour of f-elements.

  17. Organometallic neptunium(III) complexes.

    Science.gov (United States)

    Dutkiewicz, Michał S; Farnaby, Joy H; Apostolidis, Christos; Colineau, Eric; Walter, Olaf; Magnani, Nicola; Gardiner, Michael G; Love, Jason B; Kaltsoyannis, Nikolas; Caciuffo, Roberto; Arnold, Polly L

    2016-08-01

    Studies of transuranic organometallic complexes provide a particularly valuable insight into covalent contributions to the metal-ligand bonding, in which the subtle differences between the transuranium actinide ions and their lighter lanthanide counterparts are of fundamental importance for the effective remediation of nuclear waste. Unlike the organometallic chemistry of uranium, which has focused strongly on U(III) and has seen some spectacular advances, that of the transuranics is significantly technically more challenging and has remained dormant. In the case of neptunium, it is limited mainly to Np(IV). Here we report the synthesis of three new Np(III) organometallic compounds and the characterization of their molecular and electronic structures. These studies suggest that Np(III) complexes could act as single-molecule magnets, and that the lower oxidation state of Np(II) is chemically accessible. In comparison with lanthanide analogues, significant d- and f-electron contributions to key Np(III) orbitals are observed, which shows that fundamental neptunium organometallic chemistry can provide new insights into the behaviour of f-elements.

  18. Organometallic B12-DNA conjugate

    DEFF Research Database (Denmark)

    Hunger, Miriam; Mutti, Elena; Rieder, Alexander

    2014-01-01

    Design, synthesis, and structural characterization of a B12-octadecanucleotide are presented herein, a new organometallic B12-DNA conjugate. In such covalent conjugates, the natural B12 moiety may be a versatile vector for controlled in vivo delivery of oligonucleotides to cellular targets in hum...

  19. Organometallic-inorganic hybrid electrodes for lithium-ion batteries

    Science.gov (United States)

    Huang, Qian; Lemmon, John P.; Choi, Daiwon; Cosimbescu, Lelia

    2016-09-13

    Disclosed are embodiments of active materials for organometallic and organometallic-inorganic hybrid electrodes and particularly active materials for organometallic and organometallic-inorganic hybrid cathodes for lithium-ion batteries. In certain embodiments the organometallic material comprises a ferrocene polymer.

  20. Organometallic Polymeric Conductors

    Science.gov (United States)

    Youngs, Wiley J.

    1997-01-01

    over 150 days in air at ambient temperature. The conductivity of the films dropped only half an order of magnitude in that time. Films aged under vacuum at ambient temperature diminished slightly in conductivity in the first day, but did not change thereafter. An experimental design approach will be applied to maximize the efficiency of the laboratory effort. The material properties (initial and long term) will also be monitored and assessed. The experimental results will add to the existing database for electrically conductive polymer materials. Attachments: 1) Synthesis Crystal Structure, and Polymerization of 1,2:5,6:9,10-Tribenzo-3,7,11,13-tetradehydro(14) annulene. 2) Reinvestigation of the Photocyclization of 1,4-Phenylene Bis(phenylmaleic anhydride): Preparation and Structure of (5)Helicene 5,6:9,10-Dianhydride. 3) Preparation and Structure Charecterization of a Platinum Catecholate Complex Containing Two 3-Ethynyltheophone Groups. and 4) Rigid-Rod Polymers Based on Noncoplanar 4,4'-Biphenyldiamines: A Review of Polymer Properties vs Configuration of Diamines.

  1. Volatile organometallic and semiconductor materials

    International Nuclear Information System (INIS)

    Dickson, R.S.

    1991-01-01

    This article reports on a project concerned with the metal organic chemical vapour deposition (MOCVD) of mercury-cadmium telluride (MCT) undertaken by a research consortium based in the Clayton area involving Monash University Chemistry Department, Telecom Research Laboratories, and CSIRO Division of Material Sciences and Technology. An M.R. Semicon 226 MOCVD reactor, operating near atmospheric presure with hydrogen carrier gas has been used. Most applications of MCT are direct consequence of its responsiveness to radiation in infrared region spectrum. The main aims of the project were to prepare and assess a range of volatile organometallics that might find use as a dopant sources for MCT, to prepare and study the properties of a range of different lanthanide complexes for MOCVD applications and to fully characterize the semiconductor wafers after growth. 19 refs., 3 figs

  2. Hydrodeoxygenation of coal using organometallic catalyst precursors

    Science.gov (United States)

    Kirby, Stephen R.

    2002-04-01

    The objective of this dissertation was to determine the desirability of organometallic compounds for the hydrodeoxygenation (HDO) of coal during liquefaction. The primary focus of this study was the removal of phenol-like compounds from coal liquids for the production of a thermally stable jet fuel. Investigation of the HDO ability of an organometallic compound containing both cobalt and molybdenum (CoMo-T2) was achieved using a combination of model compound and coal experiments. Model compounds were chosen representing four oxygen functional groups present in a range of coals. Electron density and bond order calculations were performed for anthrone, dinaphthyl ether, xanthene, di-t-butylmethylphenol, and some of their derivatives to ascertain a potential order of hydrogenolysis and hydrogenation reactivity for these compounds. The four model compounds were then reacted with CoMo-T2, as well as ammonium tetrathiomolybdate (ATTM). Products of reaction were grouped as compounds that had undergone deoxygenation, those that had aromatic rings reduced, those that were products of both reaction pathways, and those produced through other routes. ATTM had an affinity for both reaction types. Its reaction order for the four model compounds with respect to deoxygenated compounds was the same as that estimated from electron density calculations for hydrogenolysis reactivity. CoMo-T2 appeared to show a preference toward hydrogenation, although deoxygenated products were still achieved in similar, or greater, yields, for almost all the model compounds. The reactivity order achieved for the four compounds with CoMo-T2 was similar to that estimated from bond order calculations for hydrogenation reactivity. Three coals were selected representing a range of coal ranks and oxygen contents. DECS-26 (Wyodak), DECS-24 (Illinois #6), and DECS-23 (Pittsburgh #8) were analyzed by CPMAS 13C NMR and pyrolysis-GC-MS to determine the functional groups comprising the oxygen content of these

  3. New Route to Synthesize Surface Organometallic Complexes (SOMC): An Approach by Alkylating Halogenated Surface Organometallic Fragments

    KAUST Repository

    Hamieh, Ali Imad

    2017-02-01

    The aim of this thesis is to explore new simpler and efficient routes for the preparation of surface organometallic complexes (SOMC) for the transformation of small organic molecules to valuable products. The key element in this new route relies on surface alkylation of various halogenated surface coordination complexes or organometallic fragments (SOMF).

  4. New Route to Synthesize Surface Organometallic Complexes (SOMC): An Approach by Alkylating Halogenated Surface Organometallic Fragments

    KAUST Repository

    Hamieh, Ali Imad Ali

    2017-01-01

    The aim of this thesis is to explore new simpler and efficient routes for the preparation of surface organometallic complexes (SOMC) for the transformation of small organic molecules to valuable products. The key element in this new route relies on surface alkylation of various halogenated surface coordination complexes or organometallic fragments (SOMF).

  5. Uncatalyzed hydroamination of electrophilic organometallic alkynes: fundamental, theoretical, and applied aspects.

    Science.gov (United States)

    Wang, Yanlan; Latouche, Camille; Rapakousiou, Amalia; Lopez, Colin; Ledoux-Rak, Isabelle; Ruiz, Jaime; Saillard, Jean-Yves; Astruc, Didier

    2014-06-23

    Simple reactions of the most used functional groups allowing two molecular fragments to link under mild, sustainable conditions are among the crucial tools of molecular chemistry with multiple applications in materials science, nanomedicine, and organic synthesis as already exemplified by peptide synthesis and "click" chemistry. We are concerned with redox organometallic compounds that can potentially be used as biosensors and redox catalysts and report an uncatalyzed reaction between primary and secondary amines with organometallic electrophilic alkynes that is free of side products and fully "green". A strategy is first proposed to synthesize alkynyl organometallic precursors upon addition of electrophilic aromatic ligands of cationic complexes followed by endo hydride abstraction. Electrophilic alkynylated cyclopentadienyl or arene ligands of Fe, Ru, and Co complexes subsequently react with amines to yield trans-enamines that are conjugated with the organometallic group. The difference in reactivities of the various complexes is rationalized from the two-step reaction mechanism that was elucidated through DFT calculations. Applications are illustrated by the facile reaction of ethynylcobalticenium hexafluorophosphate with aminated silica nanoparticles. Spectroscopic, nonlinear-optical and electrochemical data, as well as DFT and TDDFT calculations, indicate a strong push-pull conjugation in these cobalticenium- and Fe- and Ru-arene-enamine complexes due to planarity or near-planarity between the organometallic and trans-enamine groups involving fulvalene iminium and cyclohexadienylidene iminium mesomeric forms. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  6. The organometallic chemistry of neptunium

    International Nuclear Information System (INIS)

    Bohlander, R.

    1986-09-01

    Organometallic compounds of neptunium with carbocyclic ligands (C 5 H 5 - =cp, C 8 H 8 2- =cot) have been prepared and investigated. Starting from tetrakis(cyclopentadienyle)neptunium(IV) (cp 4 Np) and tris(cyclopentadienyle)neptunium(IV) chloride (cp 3 NpCl) a lot of other Np(IV)-compounds can be obtained by ligand-exchange reactions. These have the general formula cp 3 NpL with either inorganic ionic (L=Br - , I - , 1/2SO 4 2- , NCS - , AlCl 4 - ) or organic ligands (L=NC 4 H 4 - , N 2 C 3 H 3 - , C=CH - , 1/2C= 2- , CH 3 - , C 2 H 5 - , C 6 H 5 - ). Produced by reduction, tris(cyclopentadienyle)neptunium(III), cp 3 Np) gives similar structured 1:1-adduct complexes, cp 3 Np * B, with Lewis-bases like THF, diethylether, acetonitrile. Physico-chemical properties and changes in the molecular structure of the complexes have been studied using IR-, FTIR- and optical spectroscopy (in the NIR, VIS and UV region) as well as by magnetic and EPR measurements and Moessbauer spectrometry. The results are discussed as to their classification within the actinide complex chemistry and to the comparison with lanthanide complexes. (orig./RB) [de

  7. Supramolecular Dendriphores: Anionic Organometallic Phosphors Embedded in Polycationic Dendritic Species

    NARCIS (Netherlands)

    McDonald, A.R.; Mores, D.; de Mello-Donega, C.; van Walree, C.A.; Klein Gebbink, R.J.M.; Lutz, M.; Spek, A.L.; Meijerink, A.; van Klink, G.P.M.; van Koten, G.

    2009-01-01

    Heteroleptic iridium(III) organometallic complexes have been functionalized with sulfate tethers. These systems have been thoroughly characterized spectroscopically. Subsequently these iridium(III) complexes were reacted with polyionic dendritic materials yielding iridium(III) organometallic

  8. Identification of isomers of organometallic compounds

    Energy Technology Data Exchange (ETDEWEB)

    Mbue, Sona Peter; Cho, Kwang Hwi [Dept. of Bioinformatics and Life Science, School of Systems Biomedical Science, Soongsil University,Seoul (Korea, Republic of)

    2015-06-15

    The yaChI is a newly suggested chemical naming system. However, yaChI is a derivative of the IUPAC InChI with a modified algorithm that includes additional layers of chemical structure information. Consequently, yaChI string contains more structure details while preserving the original structure file information and can distinctively identify very closely related compounds reducing the chances of ambiguity in chemical compound databases as opposed to the general SMILES, InChI, and InChIKey. This study examines the relative performances of yaChI, SMILES, InChI, and InChIKey in duplication check for isomers. For simplicity, a small data set of 28 organometallic compounds (structural isomers of Rh-containing compounds) subdivided into three major groups (A, B, and C) based on the number and the type of ligands attached to the center atom was used to study the performances of each encoding scheme in describing chemical structures. SMILES, InChI, and InChIKey were generated using Openbabel and RDkit, whereas yaChI strings were generated with in-house program. Strings generated from SMILES, InChI, and InChIKey though different, resulted to only three unique chemical identifiers, with each belonging to one group indicating the presence of only three unique compounds in the study data. However, yaChI results depicted that all structures in each group are indeed unique and differ among themselves as well as those from other groups, mapping each structure with a unique identifier given a total number of 28 unique structures in the study data. This high perception of yaChI probe justifies its accuracy and reliability in duplication check among closely related compounds especially structures exhibiting stereo properties.

  9. Organometallic halide perovskite single crystals having low deffect density and methods of preparation thereof

    KAUST Repository

    Bakr, Osman; Shi, Dong

    2016-01-01

    The present disclosure presents a method of making a single crystal organometallic halide perovskites, with the formula: AMX3, wherein A is an organic cation, M is selected from the group consisting of: Pb, Sn, Cu, Ni, Co, Fe, Mn, Pd, Cd, Ge, and Eu

  10. Automated building of organometallic complexes from 3D fragments.

    Science.gov (United States)

    Foscato, Marco; Venkatraman, Vishwesh; Occhipinti, Giovanni; Alsberg, Bjørn K; Jensen, Vidar R

    2014-07-28

    A method for the automated construction of three-dimensional (3D) molecular models of organometallic species in design studies is described. Molecular structure fragments derived from crystallographic structures and accurate molecular-level calculations are used as 3D building blocks in the construction of multiple molecular models of analogous compounds. The method allows for precise control of stereochemistry and geometrical features that may otherwise be very challenging, or even impossible, to achieve with commonly available generators of 3D chemical structures. The new method was tested in the construction of three sets of active or metastable organometallic species of catalytic reactions in the homogeneous phase. The performance of the method was compared with those of commonly available methods for automated generation of 3D models, demonstrating higher accuracy of the prepared 3D models in general, and, in particular, a much wider range with respect to the kind of chemical structures that can be built automatically, with capabilities far beyond standard organic and main-group chemistry.

  11. Basic organometallic chemistry: containing comprehensive bibliography

    National Research Council Canada - National Science Library

    Haiduc, Ionel; Zuckerman, Jerry J

    1985-01-01

    .... Organometallic chemistry is the discipline dealing with compounds containing at least one direct metal-carbon bond. This bond can be simple covalent [as in lead tetraethyl, Pb(C H )J or π-dative [as in ferrocene, Fe(i/ 5 2 5 -C 5 H 5 ) 2 ] or even predominantly ionic [as in ethylsodium, N a + C 2 Hs ]. On this basis, compounds like metal alkoxides, [for example, alu...

  12. Enthalpies of vaporization of organometallic compounds

    International Nuclear Information System (INIS)

    Kuznetsov, N.T.; Sevast'yanov, V.G.; Mitin, V.A.; Krasnodubskaya, S.V.; Zakharov, L.N.; Domrachev, G.A.; AN SSSR, Gor'kij. Inst. Khimii)

    1987-01-01

    A possibility to use the method of additive schemes for the calculation of vaporizaton enthalpies of uranium organometallic compounds is discussed while comparing the values obtained using the method with experimental data. The possibility of apriori evaluation of evaporation enthalpy values of different uranium compounds using the method of additive schemes and structural characteristics of molecules, such as the sum of ligand solid angles, is shown

  13. A computational glance at organometallic cyclizations and coupling reactions

    OpenAIRE

    Fiser, Béla

    2016-01-01

    210 p. Organometallic chemistry is one of the main research topics in chemical science.Nowadays, organometallic reactions are the subject of intensive theoretical investigations.However, in many cases, only joint experimental and theoretical effortscould reveal the answers what we are looking for.The fruits of such experimental and theoretical co-operations will be presentedhere. In this work, we are going to deal with homogeneous organometallic catalysisusing computational chemical tools....

  14. Highvalent and organometallic technetium and rhenium compounds

    International Nuclear Information System (INIS)

    Oehlke, Elisabeth

    2010-01-01

    Diagnostic methods in nuclear medicine allow a detailed description of morphological organ structures and their function. The beta emitting isotope Tc-99 has optimal physical properties (140 keV gamma rays, half-life 6 h) and is therefore used for radiopharmaceuticals. The thesis is concerned with the search for new technetium complexes and their reproducible production. The (TcO3) core is of main interest. The second part of the thesis deals with organometallic technetium and rhenium complexes with carbonyl ligands and N-heterocyclic carbenes that show stability in aerobic aqueous solutions.

  15. Organometallics and related molecules for energy conversion

    CERN Document Server

    Wong, Wai-Yeung

    2015-01-01

    This book presents a critical perspective of the applications of organometallic compounds (including those with metal or metalloid elements) and other related metal complexes as versatile functional materials in the transformation of light into electricity (solar energy conversion) and electricity into light (light generation in light emitting diode), in the reduction of carbon dioxide to useful chemicals, as well as in the safe and efficient production and utilization of hydrogen, which serves as an energy storage medium (i.e. energy carrier). This book focuses on recent research developmen

  16. Catalytic Organometallic Reactions of Ammonia

    Science.gov (United States)

    Klinkenberg, Jessica L.

    2012-01-01

    Until recently, ammonia had rarely succumbed to catalytic transformations with homogeneous catalysts, and the development of such reactions that are selective for the formation of single products under mild conditions has encountered numerous challenges. However, recently developed catalysts have allowed several classes of reactions to create products with nitrogen-containing functional groups from ammonia. These reactions include hydroaminomethylation, reductive amination, alkylation, allylic substitution, hydroamination, and cross-coupling. This Minireview describes examples of these processes and the factors that control catalyst activity and selectivity. PMID:20857466

  17. Organometallic halide perovskite single crystals having low deffect density and methods of preparation thereof

    KAUST Repository

    Bakr, Osman M.

    2016-02-18

    The present disclosure presents a method of making a single crystal organometallic halide perovskites, with the formula: AMX3, wherein A is an organic cation, M is selected from the group consisting of: Pb, Sn, Cu, Ni, Co, Fe, Mn, Pd, Cd, Ge, and Eu, and X is a halide. The method comprises the use of two reservoirs containing different precursors and allowing the vapor diffusion from one reservoir to the other one. A solar cell comprising said crystal is also disclosed.

  18. Mechanisms of inorganic and organometallic reactions

    CERN Document Server

    The purpose of this series is to provide a continuing critical review of the literature concerned with mechanistic aspects of inorganic and organo­ metallic reactions in solution, with coverage being complete in each volume. The papers discussed are selected on the basis of relevance to the elucidation of reaction mechanisms and many include results of a nonkinetic nature when useful mechanistic information can be deduced. The period of literature covered by this volume is July 1982 through December 1983, and in some instances papers not available for inclusion in the previous volume are also included. Numerical results are usually reported in the units used by the original authors, except where data from different papers are com­ pared and conversion to common units is necessary. As in previous volumes material included covers the major areas of redox processes, reactions of the nonmetallic elements, reaction of inert and labile metal complexes and the reactions of organometallic compounds. While m...

  19. Advanced polymer chemistry of organometallic anions

    International Nuclear Information System (INIS)

    Chamberlin, R.M.; Abney, K.D.; Balaich, G.J.; Fino, S.A.

    1997-01-01

    This is the final report of a one-year, Laboratory Directed Research and Development (LDRD) project at the Los Alamos National Laboratory (LANL). The objective of the project was to prepare and characterize new polymers incorporating cobalt dicarbollide. Specific goals were to prepare polymerizable cobalt dicarbollide monomers using the nucleophilic substitution route discovered in laboratories and to establish the reaction conditions required to form polymers from these complexes. This one-year project resulted in two publications (in press), and provided the foundation for further investigations into polymer synthesis and characterization using cobalt dicarbollide and other metallocarboranes. Interest in synthesizing organometallic polymers containing the cobalt bis(dicarbollide) anion is motivated by their possible application as cation exchange materials for the remediation of cesium-137 and strontium-90 from nuclear wastes

  20. A review of the inorganic and organometallic chemistry of zirconium

    International Nuclear Information System (INIS)

    Kalvins, A.K.

    1985-01-01

    The results of a literature review of the inorganic and organometallic chemistry of zirconium are presented. Compounds with physical and chemical properties compatible with the requirements of an ir laser zirconium isotope separation process have been identified

  1. New Concept of C–H and C–C Bond Activation via Surface Organometallic Chemistry

    KAUST Repository

    Samantaray, Manoja

    2015-08-18

    In this chapter we describe the recent applications of well-defined oxidesupported metal alkyls/alkylidenes/alkylidynes and hydrides of group IV, V, and VI transition metals in the field of C–H and C–C bond activation. The activation of ubiquitous C–H and C–C bonds of paraffin is a long-standing challenge because of intrinsic low reactivity. There are many concepts derived from surface organometallic chemistry (SOMC): surface organometallic fragments are always intermediates in heterogeneous catalysis. The study of their synthesis and reactivity is a way to rationalize mechanism of heterogeneous catalysis and to achieve structure activity relationship. By surface organometallic chemistry one can enter any catalytic center by a reaction intermediate leading in fine to single site catalysts. With surface organometallic chemistry one can coordinate to the metal which can play a role in different elementary steps leading for example to C–H activation and Olefin metathesis. Because of the development of SOMC there is a lot of space for the improvement of homogeneous catalysis. After the 1997 discovery of alkane metathesis using silica-supported tantalum hydride by Basset et al. at low temperature (150ºC) the focus in this area was shifted to the discovery of more and more challenging surface complexes active in the application of C–H and C–C bond activation. Here we describe the evolution of well-defined metathesis catalyst with time as well as the effect of support on catalysis. We also describe here which metal–ligand combinations are responsible for a variety of C–H and C–C bond activation.

  2. Hydrodeoxygenation of O-containing polycyclic model compounds using a novel organometallic catalyst-precursor

    Energy Technology Data Exchange (ETDEWEB)

    Kirby, S.R.; Song, C.S.; Schobert, H.H. [Pennsylvania State University, University Park, PA (United States). Dept. of Materials Science and Engineering

    1996-09-05

    Compounds containing oxygen functional groups, especially phenols, are undesirable components of coal-derived liquids. Removal of these compounds from the products of coal liquefaction is required. A beneficial alternative would be the removal of these compounds, or the prevention of their formation, during the liquefaction reaction itself, rather than as a separate processing step. A novel organometallic catalyst precursor containing Co and Mo has been studied as a potential hydrogenation catalyst for coal liquefaction. To ascertain the hydrodeoxygenation activity of this catalyst under liquefaction conditions, model compounds were investigated. Anthrone, 2,6-di-r-btuyl-4-methyl-phenol, dinaphthyl ether and xanthene were reacted in the presence of the Co-Mo catalyst precursor and a precursor containing only Mo over a range of temperatures, providing a comparison of conversions to deoxygenated products. These conversions give an indication of the hydrodeoxygenating abilities of organometallic catalyst precursors within a coal liquefaction system. For example, at 400{degree}C dinaphthyl ether was converted 100% (4.5% O-containing products) in the presence of the Co-Mo organometallic precursor, compared to 76.5% conversion (7.4% O-products) in the presence of the Mo catalyst.

  3. Sweetening ruthenium and osmium: organometallic arene complexes containing aspartame.

    Science.gov (United States)

    Gray, Jennifer C; Habtemariam, Abraha; Winnig, Marcel; Meyerhof, Wolfgang; Sadler, Peter J

    2008-09-01

    The novel organometallic sandwich complexes [(eta(6)-p-cymene)Ru(eta(6)-aspartame)](OTf)(2) (1) (OTf = trifluoromethanesulfonate) and [(eta(6)-p-cymene)Os(eta(6)-aspartame)](OTf)(2) (2) incorporating the artificial sweetener aspartame have been synthesised and characterised. A number of properties of aspartame were found to be altered on binding to either metal. The pK(a) values of both the carboxyl and the amino groups of aspartame are lowered by between 0.35 and 0.57 pH units, causing partial deprotonation of the amino group at pH 7.4 (physiological pH). The rate of degradation of aspartame to 3,6-dioxo-5-phenylmethylpiperazine acetic acid (diketopiperazine) increased over threefold from 0.12 to 0.36 h(-1) for 1, and to 0.43 h(-1) for 2. Furthermore, the reduction potential of the ligand shifted from -1.133 to -0.619 V for 2. For the ruthenium complex 1 the process occurred in two steps, the first (at -0.38 V) within a biologically accessible range. This facilitates reactions with biological reductants such as ascorbate. Binding to and activation of the sweet taste receptor was not observed for these metal complexes up to concentrations of 1 mM. The factors which affect the ability of metal-bound aspartame to interact with the receptor site are discussed.

  4. Structure of organometallic compounds obtained by plasma of titanium isopropoxide

    International Nuclear Information System (INIS)

    Arreola R, M. L.

    2012-01-01

    This work presents a study on the synthesis and characterization of organometallic compounds of titanium oxide obtained from glow discharges of titanium tetraisopropoxide (TTIP) and water on glass and polyethylene. The objective is the synthesis of titanium oxide particles which can be fixed on different supports for use in further studies of contaminants degradation in effluent streams. The synthesis was carried out by plasma in a glass tubular reactor of 750 cm 3 and 15 cm length at 10 -1 mbar with power between 100 and 150 W during 2, 3 and 4 h. The precursors were TTIP and water vapor. TTIP is an organometallic compound composed of a central atom of Ti surrounded by 4 O atoms, which in turn are connected with chains of 3 C (propane s). The objective is the use of plasma collisions to separate the organic and inorganic phases of TTIP, so that both structure independently in a single material. The result was the formation of white titanium oxide powder composed with agglomerates of spherical particles with average diameter between 160 and 452 nm adhered to small films. The agglomerates have a tendency to change from film to particles with the energy applied to the synthesis. The study of the chemical structure showed a great presence of O 2 -Ti-O 2 (Ti surrounded by O) which can be found in most titanium oxides. Other chemical groups belonging to the organic phase were C=C=C, C=C=O and C 2 -C-Ch appearing from the dehydrogenation of TTIP, which can be a possible precursor of this reactions kind. The structural superficial analyses showed that the atomic composition varies according to type of substrate used. The greatest content of Ti was obtained on glass substrates. However, the synthesis conditions had not evident effect in the participation of chemical states found in the inorganic phase. The crystalline studies indicated that the material is amorphous, although the de convoluted X-ray spectra showed that the synthesized titanium oxides on glass tend to

  5. Organic or organometallic template mediated clay synthesis

    Science.gov (United States)

    Gregar, Kathleen C.; Winans, Randall E.; Botto, Robert E.

    1994-01-01

    A method for incorporating diverse Varieties of intercalants or templates directly during hydrothermal synthesis of clays such as hectorite or montmorillonite-type layer-silicate clays. For a hectorite layer-silicate clay, refluxing a gel of silica sol, magnesium hydroxide sol and lithium fluoride for two days in the presence of an organic or organometallic intercalant or template results in crystalline products containing either (a) organic dye molecules such as ethyl violet and methyl green, (b) dye molecules such as alcian blue that are based on a Cu(II)-phthalocyannine complex, or (c) transition metal complexes such as Ru(II)phenanthroline and Co(III)sepulchrate or (d) water-soluble porphyrins and metalloporphyrins. Montmorillonite-type clays are made by the method taught by U.S. Pat. No. 3,887,454 issued to Hickson, Jun. 13, 1975; however, a variety of intercalants or templates may be introduced. The intercalants or templates should have (i) water-solubility, (ii) positive charge, and (iii) thermal stability under moderately basic (pH 9-10) aqueous reflux conditions or hydrothermal pressurized conditions for the montmorillonite-type clays.

  6. Hydrotelluration of alkynes: a unique route to Z-vinyl organometallics

    Directory of Open Access Journals (Sweden)

    Vieira Maurício L.

    2001-01-01

    Full Text Available The hydrotelluration reaction of alkynes is reviewed. The transformation of vinylic tellurides into reactive vinyl organometallics and the coupling reactions of vinylic tellurides with alkynes and organometallics are presented.

  7. Solar cells, structures including organometallic halide perovskite monocrystalline films, and methods of preparation thereof

    KAUST Repository

    Bakr, Osman; Peng, Wei; Wang, Lingfei

    2017-01-01

    Embodiments of the present disclosure provide for solar cells including an organometallic halide perovskite monocrystalline film (see fig. 1.1B), other devices including the organometallic halide perovskite monocrystalline film, methods of making

  8. Solar cells, structures including organometallic halide perovskite monocrystalline films, and methods of preparation thereof

    KAUST Repository

    Bakr, Osman M.

    2017-03-02

    Embodiments of the present disclosure provide for solar cells including an organometallic halide perovskite monocrystalline film (see fig. 1.1B), other devices including the organometallic halide perovskite monocrystalline film, methods of making organometallic halide perovskite monocrystalline film, and the like.

  9. Modules for Introducing Organometallic Reactions: A Bridge between Organic and Inorganic Chemistry

    Science.gov (United States)

    Schaller, Chris P.; Graham, Kate J.; Johnson, Brian J.

    2015-01-01

    Transition metal organometallic reactions have become increasingly important in the synthesis of organic molecules. A new approach has been developed to introduce organometallic chemistry, along with organic and inorganic chemistry, at the foundational level. This change highlights applications of organometallic chemistry that have dramatically…

  10. Organometallic vapor-phase epitaxy theory and practice

    CERN Document Server

    Stringfellow, Gerald B

    1989-01-01

    Here is one of the first single-author treatments of organometallic vapor-phase epitaxy (OMVPE)--a leading technique for the fabrication of semiconductor materials and devices. Also included are metal-organic molecular-beam epitaxy (MOMBE) and chemical-beam epitaxy (CBE) ultra-high-vacuum deposition techniques using organometallic source molecules. Of interest to researchers, students, and people in the semiconductor industry, this book provides a basic foundation for understanding the technique and the application of OMVPE for the growth of both III-V and II-VI semiconductor materials and the

  11. Synthesis and purification of some main group organometallic ...

    Indian Academy of Sciences (India)

    Unknown

    Novel Materials and Structural Chemistry Division, Bhabha Atomic Research Centre, Mumbai 400 085, India. Abstract. Metal–organic ... of AsH3 in GaAs synthesis; ~ 4 h half life of SbH3 at room temperature) has been a driving force to develop new molecular ... pound). Thermal dissociation of these adducts at an appro-.

  12. Local structure of Iridium organometallic catalysts covalently bonded to carbon nanotubes.

    Science.gov (United States)

    Blasco, J.; Cuartero, V.; Subías, G.; Jiménez, M. V.; Pérez-Torrente, J. J.; Oro, L. A.; Blanco, M.; Álvarez, P.; Blanco, C.; Menéndez, R.

    2016-05-01

    Hybrid catalysts based on Iridium N-heterocyclic carbenes anchored to carbon nanotubes (CNT) have been studied by XAFS spectroscopy. Oxidation of CNT yields a large amount of functional groups, mainly hydroxyl groups at the walls and carboxylic groups at the tips, defects and edges. Different kinds of esterification reactions were performed to functionalize oxidized CNT with imidazolium salts. Then, the resulting products were reacted with an Ir organometallic compound to form hybrid catalysts efficient in hydrogen transfer processes. XANES spectroscopy agree with the presence of Ir(I) in these catalysts and the EXAFS spectra detected differences in the local structure of Ir atoms between the initial Ir organometallic compound and the Ir complexes anchored to the CNT. Our results confirm that the halide atom, present in the Ir precursor, was replaced by oxygen from -OH groups at the CNT wall in the first coordination shell of Ir. The lability of this group accounts for the good recyclability and the good efficiency shown by these hybrid catalysts.

  13. Thermal lens and all optical switching of new organometallic compound doped polyacrylamide gel

    Science.gov (United States)

    Badran, Hussain Ali

    In this work thermal lens spectrometry (TLS) is applied to investigate the thermo-optical properties of new organometallic compound containing azomethine group, Dichloro bis [2-(2-hydroxybenzylideneamino)-5-methylphenyl] telluride platinum(II), doped polyacrylamide gel using transistor-transistor logic (TTL) modulated cw 532 nm laser beam as an excitation beam modulated at 10 Hz frequency and probe beam wavelength 635 nm at 14 mW. The technique is applied to determine the thermal diffusivities, ds/dT and the linear thermal expansion coefficient of the sample. All-optical switching effects with low background and high stability are demonstrated.

  14. DNA-based asymmetric organometallic catalysis in water

    NARCIS (Netherlands)

    Oelerich, Jens; Roelfes, Gerard

    2013-01-01

    Here, the first examples of DNA-based organometallic catalysis in water that give rise to high enantioselectivities are described. Copper complexes of strongly intercalating ligands were found to enable the asymmetric intramolecular cyclopropanation of alpha-diazo-beta-keto sulfones in water. Up to

  15. Platinum-195 nuclear magnetic resonance of organometallic compounds

    OpenAIRE

    Ursini, Cleber Vinicius

    1997-01-01

    A brief review of 195Pt NMR is presented, focusing organometallic compounds. This article gives initially basic information of NMR processes involving 195Pt nucleus. It is followed by a discussion of the factors which affect the chemical shifts and coupling constants. Finally, some aspects of 195Pt NMR of solids are commented.

  16. Ligand Rearrangements of Organometallic Complexes inSolution

    Energy Technology Data Exchange (ETDEWEB)

    Shanoski, Jennifer E. [Univ. of California, Berkeley, CA (United States)

    2006-01-01

    Many chemical reactions utilize organometallic complexes as catalysts. These complexes find use in reactions as varied as bond activation, polymerization, and isomerization. This thesis outlines the construction of a new ultrafast laser system with an emphasis on the generation of tunable mid-infrared pulses, data collection, and data analysis.

  17. Recent Applications of Polymer Supported Organometallic Catalysts in Organic Synthesis

    Directory of Open Access Journals (Sweden)

    Nina Kann

    2010-09-01

    Full Text Available Recent developments concerning the application of polymer supported organometallic reagents in solid phase synthesis are reviewed, with a special focus on methodology for carbon-carbon formation. Examples of reactions that are covered include the classical Suzuki, Sonogashira and Heck coupings, but also aryl amination, epoxide opening, rearrangements, metathesis and cyclopropanation. Applications in the field of asymmetric synthesis are also discussed.

  18. Molecular orbital studies of the bonding in heavy element organometallics

    International Nuclear Information System (INIS)

    Bursten, B.E.

    1990-01-01

    This progress report contains highlights of research projects in actinide chemistry. Projects covered are bonding in Np, Pu, and transplutonium organometallic compounds, applications of the discrete variational Xα method to actinide chemistry, ab initio calculations on actinide molecules, and experimental comparisons of organoactinide and organotransition metal chemistry. Also included is brief discussions on budgets, funding, invited papers and invited presentations. (JL)

  19. Organometallic compounds of the lanthanides, actinides and early transition metals

    Energy Technology Data Exchange (ETDEWEB)

    Cardin, D J [Trinity Coll., Dublin (Ireland); Cotton, S A [Stanground School, Peterborough (UK); Green, M [Bristol Univ. (UK); Labinger, J A [Atlantic Richfield Co., Los Angeles, CA (USA); eds.

    1985-01-01

    This book provides a reference compilation of physical and biographical data on over 1500 of the most important and useful organometallic compounds of the lanthanides, actinides and early transition metals representing 38 different elements. The compounds are listed in molecular formula order in a series of entries in dictionary format. Details of structure, physical and chemical properties, reactions and key references are clearly set out. All the data is fully indexed and a structural index is provided.

  20. An Organometallic Future in Green and Energy Chemistry?

    Energy Technology Data Exchange (ETDEWEB)

    Crabtree, Robert H

    2011-01-10

    The title topic is reviewed with selected examples taken from recent work, such as: the 'hydrogen borrowing' amine alkylation by alcohols; the dehydrogenative coupling of amine and alcohol to give amide; Ru complexes as solar cell photosensitizers; Ir organometallics as water oxidation catalyst precursors and as OLED emitters; as well as recent hydrogen storage strategies involving catalytic dehydrogenation of ammonia-borane and of organic heterocycles.

  1. Mew organometallic complexes of technetium in different oxidation states

    International Nuclear Information System (INIS)

    Joachim, J.E.

    1993-09-01

    New organometallic compounds of Tc(I), Tc(III) and Tc(VII) were synthesized and their properties examined. These compounds were correlated with their homologous compounds of manganese and rhenium, which were also synthesized by the same route. The molecular and crystal structures of most technetium complexes and of the homologous complexes of manganese and rhenium were determined by single crystal X-ray diffraction. (orig.) [de

  2. Organometallic and Bioorganometallic Chemistry - Ferrocene and Metal Carbonyls

    Directory of Open Access Journals (Sweden)

    Čakić Semenčić, M.

    2011-02-01

    Full Text Available Organometallic chemistry deals with compounds containing metal-carbon bonds. Basic organometallics derived from the s- and p-block metals (containing solely σ-bonds were understood earlier, while organometallic chemistry of the d- and f-block has developed much more recently. These compounds are characterized by three types of M-C bonds (σ, π and δand their structures are impossible to deduce by chemical means alone; fundamental advances had to await the development of X-ray diffraction, as well as IR- and NMR-spectroscopy. On the other hand, elucidation of the structure of e. g. vitamin B12 and ferrocene (discovered in 1951 contributed to progress in these instrumental analytical methods, influencing further phenomenal success of transition-metal organometallic chemistry in the second half of the twentieth century. The most thoroughly explored fields of application of organometallics were in the area of catalysis, asymmetric synthesis, olefin metathesis, as well as organic synthesis and access to new materials and polymers.The most usual ligands bound to d- and f-metals are carbon monoxide, phosphines, alkyls, carbenes and arenes, and in this review the bonding patterns in the metal carbonyls and ferrocene are elaborated. The common characteristics of these two classes are two-component bonds. The CO-M bonds include (i donation from ligand HOMO to vacant M d-orbitals (σ-bond, and (ii back-donation from the filled M d-orbitals in the ligand LUMO (π-bond. Similar (but much more complicated ferrocene contains delocalized bonds consisting of electron donation from Cp to Fe (σ-bonds- and π-bonding and δ-back-bonding from metal to Cp. In such a way ferrocene, i. e. (η5-Cp2Fe contains 18 bonding electrons giving to this compound "superaromatic" properties in the sense of stability and electrophilic substitution. In contrast to benzenoid aromatic compounds reactions in two Cp-rings can occur giving homo- and heteroannularly mono-, two-… per

  3. Organometallics and quaternary ammonium salts affect calcium ion desorption from lecithin liposome membranes

    International Nuclear Information System (INIS)

    Kral, T.E.; Kuczera, J.; Przestalski, S.

    2001-01-01

    The objective of the present work was to compare the effects of groups of tin and lead organometallic compounds and their mixtures with amphiphilic quaternary ammonium salts (QAS) on the process of calcium ion desorption from lecithin liposome membranes, as dependent on the properties of the hydrophilic and hydrophobic parts of QAS. In the investigations the method of radioactive labels was applied. Synergism and antagonism in the action of both groups of compounds were found. The effectiveness of the cooperation depended more on chain length of QAS compounds than on the size and polarity of their hydrophobic parts. The most effective of all compounds studied was a the mixture of benzyldimethylammonium chloride in a mixture with tripropyltin. Since the rate of calcium desorption proved to be a good measure of efficacy of biologically active surfactants, it seems that the conclusions reached in this paper may be useful for choosing compounds which are able to decontaminate the environment polluted with heavy metals. (orig.)

  4. Organometallic chemistry of bimetallic compounds. Progress report, January 1992--July 1995

    International Nuclear Information System (INIS)

    Casey, C.P.

    1994-07-01

    Four main projects at the interface between organometallic chemistry and homogeneous catalysis were pursued. All were designed to give increased understanding of the mechanisms of organometallic reactions related to homogeneous and heterogeneous catalysis. In addition, a minor study involving η 5 -to η 1 -cyclopentadienyl ring slippage in catalysis was completed

  5. Organometallic chemistry of bimetallic compounds. Progress report, January 1992--July 1995

    Energy Technology Data Exchange (ETDEWEB)

    Casey, C.P.

    1994-07-01

    Four main projects at the interface between organometallic chemistry and homogeneous catalysis were pursued. All were designed to give increased understanding of the mechanisms of organometallic reactions related to homogeneous and heterogeneous catalysis. In addition, a minor study involving {eta}{sup 5}-to {eta}{sup 1}-cyclopentadienyl ring slippage in catalysis was completed.

  6. New twists and turns for actinide chemistry. Organometallic infinite coordination polymers of thorium diazide

    Energy Technology Data Exchange (ETDEWEB)

    Monreal, Marisa J.; Seaman, Lani A.; Goff, George S.; Michalczyk, Ryszard; Morris, David E.; Scott, Brian L.; Kiplinger, Jaqueline L. [Los Alamos National Laboratory, Los Alamos, NM (United States)

    2016-03-07

    Two organometallic 1D infinite coordination polymers and two organometallic monometallic complexes of thorium diazide have been synthesized and characterized. Steric control of these self-assembled arrays, which are dense in thorium and nitrogen, has also been demonstrated: infinite chains can be circumvented by using steric bulk either at the metallocene or with a donor ligand in the wedge.

  7. Theory of Hydrogen Storage: A New Strategy within Organometallic Chemistry

    Science.gov (United States)

    Zhao, Yufeng

    2006-03-01

    As one of the most vigorous fields in modern chemistry, organometallic chemistry has made vast contributions to a broad variety of technological fields including catalysis, light emitters, molecular devices, liquid crystals, and even superconductivity. Here we show that organometallic chemistry in nanoscale could be the frontier in hydrogen storage. Our study is based on the notion that the 3d transition metal (TM) atoms are superb absorbers for H storage, as their empty d orbital can bind dihydrogen ligands (elongated but non-dissociated H2) with high capacity at nearly ideal binding energy for reversible hydrogen storage. By embedding the TM atoms into a carbon-based nanostructures, high H capacity can be maintained. This presentation contains four parts. First, by comparing the conventional hydrogen storage media, e.g., metal hydrides and carbon-based materials, the general principles for designing hydrogen storage materials are outlined. Second, organometallic buckyballs are studied to demonstrate the novel strategy. The amount of H2 adsorbed on a Sc-coated fullerene, C48B12 [ScH]12, could approach 9 wt%, with binding energies of 30-40 kJ/mol. Third, the method is applied to the transition-metal carbide nanoparticles that have been synthesized experimentally. The similar non-dissociative H2 binding is revealed in our calculation, thereby demonstrating the resilience of the overall mechanism. Moreover, a novel self-catalysis process is identified. In the fourth part, transition-metal functionalization of highly porous carbon-based materials is discussed heuristically to foresee macroscopic media for hydrogen storage. Finally follows the summary and discussion of the remaining challenges to practical hydrogen storage. Work in collaboration with A. C. Dillon, Y.-H. Kim, M. Heben & S. B. Zhang and supported by the U.S. DOE/EERE under contract No. DE-AC36-99GO10337.

  8. Synthetic strategies for efficient conjugation of organometallic complexes with pendant protein reactive markers

    KAUST Repository

    Jantke, Dominik

    2013-11-01

    Site-directed conjugation of metal centers to proteins is fundamental for biological and bioinorganic applications of transition metals. However, methods for the site-selective introduction of metal centers remain scarce. Herein, we present broadly applicable synthetic strategies for the conjugation of bioactive molecules with a range of organometallic complexes. Following three different synthetic strategies, we were able to synthesize a small library of metal conjugated protein markers featuring different types of protein reactive sites (epoxides, phenylphosphonates, fluorosulfonates and fluorophosphonate groups) as well as different late transition metals (iron, ruthenium, rhodium, palladium and platinum). The products were isolated in moderate to excellent yields and high purity. Furthermore, X-ray diffraction of the metalated protein markers corroborates structural integrity of the metal complex and the protein reactive site. © 2013 Elsevier B.V. All rights reserved.

  9. Synthetic strategies for efficient conjugation of organometallic complexes with pendant protein reactive markers

    KAUST Repository

    Jantke, Dominik; Marziale, Alexander N.; Reiner, Thomas; Kraus, Florian; Herdtweck, Eberhardt; Raba, Andreas; Eppinger, Jö rg

    2013-01-01

    Site-directed conjugation of metal centers to proteins is fundamental for biological and bioinorganic applications of transition metals. However, methods for the site-selective introduction of metal centers remain scarce. Herein, we present broadly applicable synthetic strategies for the conjugation of bioactive molecules with a range of organometallic complexes. Following three different synthetic strategies, we were able to synthesize a small library of metal conjugated protein markers featuring different types of protein reactive sites (epoxides, phenylphosphonates, fluorosulfonates and fluorophosphonate groups) as well as different late transition metals (iron, ruthenium, rhodium, palladium and platinum). The products were isolated in moderate to excellent yields and high purity. Furthermore, X-ray diffraction of the metalated protein markers corroborates structural integrity of the metal complex and the protein reactive site. © 2013 Elsevier B.V. All rights reserved.

  10. NATO Advanced Research Workshop on the Mechanisms of Reactions of Organometallic Compounds with Surfaces

    CERN Document Server

    Williams, J

    1989-01-01

    A NATO Advanced Research Workshop on the "Mechanisms of Reactions of Organometallic Compounds with Surfaces" was held in St. Andrews, Scotland in June 1988. Many of the leading international researchers in this area were present at the workshop and all made oral presentations of their results. In addition, significant amounts of time were set aside for Round Table discussions, in which smaller groups considered the current status of mechanistic knowledge, identified areas of dispute or disagreement, and proposed experiments that need to be carried out to resolve such disputes so as to advance our understanding of this important research area. All the papers presented at the workshop are collected in this volume, together with summaries of the conclusions reached at the Round Table discussions. The workshop could not have taken place without financial support from NATO, and donations were also received from Associated Octel, Ltd., STC Ltd., and Epichem Ltd., for which the organisers are very grateful. The orga...

  11. Control and Characterization of Titanium Dioxide Morphology: Applications in Surface Organometallic Chemistry

    KAUST Repository

    Jeantelot, Gabriel

    2014-05-01

    Surface Organometallic Chemistry leads to the combination of the high activity and specificity of homogeneous catalysts with the recoverability and practicality of heterogeneous catalysts. Most metal complexes used in this chemistry are grafted on metal oxide supports such as amorphous silica (SiO2) and γ-alumina (Al2O3). In this thesis, we sought to enable the use of titania (TiO2) as a new support for single-site well-defined grafting of metal complexes. This was achieved by synthesizing a special type of anatase-TiO2, bearing a high density of identical hydroxyl groups, through hydrothermal synthesis then post-treatment under high vacuum followed by oxygen flow, and characterized by several analytical techniques including X-ray diffraction, transmission electron microscopy, infrared spectroscopy and nuclear magnetic resonance. Finally, as a proof of concept, the grafting of vanadium oxychloride (VOCl3) was successfully attempted.

  12. Use of ionic liquids as coordination ligands for organometallic catalysts

    Science.gov (United States)

    Li, Zaiwei [Moreno Valley, CA; Tang, Yongchun [Walnut, CA; Cheng,; Jihong, [Arcadia, CA

    2009-11-10

    Aspects of the present invention relate to compositions and methods for the use of ionic liquids with dissolved metal compounds as catalysts for a variety of chemical reactions. Ionic liquids are salts that generally are liquids at room temperature, and are capable of dissolving a many types of compounds that are relatively insoluble in aqueous or organic solvent systems. Specifically, ionic liquids may dissolve metal compounds to produce homogeneous and heterogeneous organometallic catalysts. One industrially-important chemical reaction that may be catalyzed by metal-containing ionic liquid catalysts is the conversion of methane to methanol.

  13. Synthesis, characterization and reactivity of some lanthanide organometallics

    International Nuclear Information System (INIS)

    Marchal, N.

    1991-12-01

    Organo lanthanides with reactive metal-carbon bonds are obtained by direct synthesis of the metal (powder) and a hydrocarbon in ether medium, like with alkali metals. Two types of synthesis are envisaged: formation of covalent bonds by opening cycles, only biphenylene is reactive enough in regard to ytterbium and samarium, these organometallic compounds can also be prepared by the classical way, i.e. reaction of 2.2'-dilithio biphenyl on rare earth halogenides and coupling of 6.6-dimethylfulvene leading to dicyclopentadienyl compounds with Sm and Yb. The reactivity of these complexes is studied by catalysis of ethylene polymerization

  14. Two-Photon Absorption in Organometallic Bromide Perovskites

    KAUST Repository

    Walters, Grant

    2015-07-21

    Organometallic trihalide perovskites are solution processed semiconductors that have made great strides in third generation thin film light harvesting and light emitting optoelectronic devices. Recently it has been demonstrated that large, high purity single crystals of these perovskites can be synthesized from the solution phase. These crystals’ large dimensions, clean bandgap, and solid-state order, have provided us with a suitable medium to observe and quantify two-photon absorption in perovskites. When CH3NH3PbBr3 single crystals are pumped with intense 800 nm light, we observe band-to-band photoluminescence at 572 nm, indicative of two-photon absorption. We report the nonlinear absorption coefficient of CH3NH3PbBr3 perovskites to be 8.6 cm GW-1 at 800 nm, comparable to epitaxial single crystal semiconductors of similar bandgap. We have leveraged this nonlinear process to electrically autocorrelate a 100 fs pulsed laser using a two-photon perovskite photodetector. This work demonstrates the viability of organometallic trihalide perovskites as a convenient and low-cost nonlinear absorber for applications in ultrafast photonics.

  15. Two-Photon Absorption in Organometallic Bromide Perovskites

    KAUST Repository

    Walters, Grant; Sutherland, Brandon R; Hoogland, Sjoerd; Shi, Dong; Comin, Riccardo; Sellan, Daniel P.; Bakr, Osman; Sargent, Edward H.

    2015-01-01

    Organometallic trihalide perovskites are solution processed semiconductors that have made great strides in third generation thin film light harvesting and light emitting optoelectronic devices. Recently it has been demonstrated that large, high purity single crystals of these perovskites can be synthesized from the solution phase. These crystals’ large dimensions, clean bandgap, and solid-state order, have provided us with a suitable medium to observe and quantify two-photon absorption in perovskites. When CH3NH3PbBr3 single crystals are pumped with intense 800 nm light, we observe band-to-band photoluminescence at 572 nm, indicative of two-photon absorption. We report the nonlinear absorption coefficient of CH3NH3PbBr3 perovskites to be 8.6 cm GW-1 at 800 nm, comparable to epitaxial single crystal semiconductors of similar bandgap. We have leveraged this nonlinear process to electrically autocorrelate a 100 fs pulsed laser using a two-photon perovskite photodetector. This work demonstrates the viability of organometallic trihalide perovskites as a convenient and low-cost nonlinear absorber for applications in ultrafast photonics.

  16. Fabrication of superconducting wire using organometallic precursors and infiltration

    International Nuclear Information System (INIS)

    Lee, Y.J.

    1991-01-01

    Organometallic precursors from naphthenic acid and metal nitrates were used for the synthesis of YBCO oxide superconducting compounds. The characteristics of metal naphthenates as organometallic precursors were investigated by IR spectra, viscosity measurements, and infiltration. 123 superconducting compound obtained from 123 naphthenate showed a Tc of 90 degree K and a rather dense and elongated microstructure. Also, the melting behavior of Ba-cuprates which were used for 123 making was studied. A low-temperature melting process was developed to fabricate silver-sheathed superconducting wire with the powder-in-tube method; flowing argon gas is introduced to the system at 930-945 degree C to reduce the melting temperature of the 123 compound without silver sheath melting. It resulted in a 90 degree K Tc superconducting core with dense and locally aligned microstructure. SEM-EDS and XRD analysis, 4-probe resistance and Jc measurements, and carbon-content determinations were carried out to characterize the microstructure, grain alignment, and superconducting properties of the samples

  17. Functional Group Analysis.

    Science.gov (United States)

    Smith, Walter T., Jr.; Patterson, John M.

    1984-01-01

    Literature on analytical methods related to the functional groups of 17 chemical compounds is reviewed. These compounds include acids, acid azides, alcohols, aldehydes, ketones, amino acids, aromatic hydrocarbons, carbodiimides, carbohydrates, ethers, nitro compounds, nitrosamines, organometallic compounds, peroxides, phenols, silicon compounds,…

  18. Synthesis and studies of some organometallic compounds of uranium IV

    International Nuclear Information System (INIS)

    Marquet-Ellis, Hubert; Folcher, Gerard.

    1975-06-01

    The organometallic compounds of uranium IV have been well known for a long-time but some difficulties in the synthese subsist. The procedures and the apparatus allowing to obtain these compounds with good yields are described. The cyclopenta dienyl compounds U(C 5 H 5 ) 3 Cl, U(C 5 H 5 ) 4 are prepared by reaction of UCl 4 with Na(C 5 H 5 ) in tetrahydrofurane. The cyclooctatetraene compound U(C 8 H 8 ) 2 ''Uranocene'' is obtained by reaction of K 2 (C 8 H 8 ) on UCl 4 in tetrahydrofurane. The NMR spectrum of the solution during the reaction shows the appearance of the product. These compounds have been identified by chemical analysis and X rays. The visible spectra of U(C 5 H 5 ) 2 Cl and U(C 8 H 8 ) 2 in gaseous phase have been obtained [fr

  19. PREPARATION OF TANTALUM CARBIDE FROM AN ORGANOMETALLIC PRECURSOR

    Directory of Open Access Journals (Sweden)

    C. P. SOUZA

    1999-03-01

    Full Text Available In this work we have synthesized an organometallic oxalic precursor from tantalum oxide. This oxide was solubilized by heating with potassium hydrogen sulfate. In order to precipitate Ta2O5.nH2O, the fused mass obtained was dissolved in a sulfuric acid solution and neutralized with ammonia. The hydrated tantalum oxide precipitated was dissolved in an equimolar solution of oxalic acid/ammonium oxalate. The synthesis and the characterization of the tantalum oxalic precursor are described. Pyrolysis of the complex in a mixture of hydrogen and methane at atmospheric pressure was studied. The gas-solid reaction made it possible to obtain tantalum carbide, TaC, in the powder form at 1000oC. The natural sintering of TaC powder in an inert atmosphere at 1400°C during 10 hours, under inert atmosphere made it possible to densify the carbide to 96% of the theoretical value.

  20. Naturally Efficient Emitters: Luminescent Organometallic Complexes Derived from Natural Products

    Science.gov (United States)

    Zhang, Wen-Hua; Young, David J.

    2013-08-01

    Naturally occurring molecules offer intricate structures and functionality that are the basis of modern medicinal chemistry, but are under-represented in materials science. Herein, we review recent literature describing the use of abundant and relatively inexpensive, natural products for the synthesis of ligands for luminescent organometallic complexes used for organic light emitting diodes (OLEDs) and related technologies. These ligands are prepared from the renewable starting materials caffeine, camphor, pinene and cinchonine and, with the exception of caffeine, impart performance improvements to the emissive metal complexes and resulting OLED devices, with emission wavelengths that span the visible spectrum from blue to red. The advantages of these biologically-derived molecules include improved solution processibility and phase homogeneity, brighter luminescence, higher quantum efficiencies and lower turn-on voltages. While nature has evolved these carbon-skeletons for specific purposes, they also offer some intriguing benefits in materials science and technology.

  1. Selective Organic and Organometallic Reactions in Water-Soluble Host-Guest Supramolecular Systems

    Energy Technology Data Exchange (ETDEWEB)

    Pluth, Michael D.; Raymond, Kenneth N.; Bergman, Robert G.

    2008-02-16

    Inspired by the efficiency and selectivity of enzymes, synthetic chemists have designed and prepared a wide range of host molecules that can bind smaller molecules with their cavities; this area has become known as 'supramolecular' or 'host-guest' chemistry. Pioneered by Lehn, Cram, Pedersen, and Breslow, and followed up by a large number of more recent investigators, it has been found that the chemical environment in each assembly - defined by the size, shape, charge, and functional group availability - greatly influences the guest-binding characteristics of these compounds. In contrast to the large number of binding studies that have been carried out in this area, the exploration of chemistry - especially catalytic chemistry - that can take place inside supramolecular host cavities is still in its infancy. For example, until the work described here was carried out, very few examples of organometallic reactivity inside supramolecular hosts were known, especially in water solution. For that reason, our group and the group directed by Kenneth Raymond decided to take advantage of our complementary expertise and attempt to carry out metal-mediated C-H bond activation reactions in water-soluble supramolecular systems. This article begins by providing background from the Raymond group in supramolecular coordination chemistry and the Bergman group in C-H bond activation. It goes on to report the results of our combined efforts in supramolecular C-H activation reactions, followed by extensions of this work into a wider range of intracavity transformations.

  2. Writing nanopatterns with electrochemical oxidation on redox responsive organometallic multilayers by AFM

    NARCIS (Netherlands)

    Song, Jing; Hempenius, Mark A.; Chung, H.J.; Vancso, Gyula J.

    2015-01-01

    Nanoelectrochemical patterning of redox responsive organometallic poly(ferrocenylsilane) (PFS) multilayers is demonstrated by electrochemical dip pen lithography (EDPN). Local electrochemical oxidation and Joule heating of PFS multilayers from the tip are considered as relevant mechanisms related to

  3. New twists and turns for actinide chemistry: organometallic infinite coordination polymers of thorium diazide

    Energy Technology Data Exchange (ETDEWEB)

    Monreal, Marisa J.; Seaman, Lani A.; Goff, George S.; Michalczyk, Ryszard; Morris, David E.; Scott, Brian L.; Kiplinger, Jaqueline L. [Los Alamos National Laboratory, Los Alamos, NM (United States)

    2016-03-07

    Two organometallic 1D infinite coordination polymers and two organometallic monometallic complexes of thorium diazide have been synthesized and characterized. Steric control of these self-assembled arrays, which are dense in thorium and nitrogen, has also been demonstrated: infinite chains can be circumvented by using steric bulk either at the metallocene or with a donor ligand in the wedge. (copyright 2016 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  4. Photophysics of organometallic platinum(II) derivatives of the diketopyrrolopyrrole chromophore

    KAUST Repository

    Goswami, Subhadip

    2014-12-18

    A pair of diketopyrrolopyrrole (DPP) chromophores that are end-functionalized with platinum containing "auxochromes" were subjected to electrochemical and photophysical study. The chromophores contain either platinum acetylide or ortho-metalated 2-thienylpyridinyl(platinum) end-groups (DPP-Pt(CC) and DPP-Pt(acac), respectively). The ground state redox potentials of the chromophores were determined by solution electrochemistry, and the HOMO and LUMO levels were estimated. The chromophores\\' photophysical properties were characterized by absorption, photoluminescence, and time-resolved absorption spectroscopy on time scales from sub-picoseconds to microseconds. Density functional theory (DFT) computations were performed to understand the molecular orbitals involved in both the singlet and triplet excited state photophysics. The results reveal that in both platinum DPP derivatives the organometallic auxochromes have a significant effect on the chromophores\\' photophysics. The most profound effect is a reduction in the fluorescence yields accompanied by enhanced triplet yields due to spin-orbit coupling induced by the metal centers. The effects are most pronounced in DPP-Pt(acac), indicating that the orthometalated platinum auxochrome is able to induce spin-orbital coupling to a greater extent compared to the platinum acetylide units. (Figure Presented).

  5. Photophysics of organometallic platinum(II) derivatives of the diketopyrrolopyrrole chromophore

    KAUST Repository

    Goswami, Subhadip; Winkel, Russell W.; Alarousu, Erkki; Ghiviriga, Ion; Mohammed, Omar F.; Schanze, Kirk S.

    2014-01-01

    A pair of diketopyrrolopyrrole (DPP) chromophores that are end-functionalized with platinum containing "auxochromes" were subjected to electrochemical and photophysical study. The chromophores contain either platinum acetylide or ortho-metalated 2-thienylpyridinyl(platinum) end-groups (DPP-Pt(CC) and DPP-Pt(acac), respectively). The ground state redox potentials of the chromophores were determined by solution electrochemistry, and the HOMO and LUMO levels were estimated. The chromophores' photophysical properties were characterized by absorption, photoluminescence, and time-resolved absorption spectroscopy on time scales from sub-picoseconds to microseconds. Density functional theory (DFT) computations were performed to understand the molecular orbitals involved in both the singlet and triplet excited state photophysics. The results reveal that in both platinum DPP derivatives the organometallic auxochromes have a significant effect on the chromophores' photophysics. The most profound effect is a reduction in the fluorescence yields accompanied by enhanced triplet yields due to spin-orbit coupling induced by the metal centers. The effects are most pronounced in DPP-Pt(acac), indicating that the orthometalated platinum auxochrome is able to induce spin-orbital coupling to a greater extent compared to the platinum acetylide units. (Figure Presented).

  6. Horizons of organic and organoelemental chemistry. 7. All-Russian conference on organometallic chemistry. Summaries of reports. V. 2

    International Nuclear Information System (INIS)

    1999-01-01

    Abstracts of the seventh All-Russian conference on organometallic chemistry are presented. The main part of reports are devoted to the synthesis of organometallic compounds with assigned properties of rare earths, transition elements and other metals. Data on molecular structure, chemical and electrochemical properties of these compounds are presented

  7. Molecular metal catalysts on supports: organometallic chemistry meets surface science.

    Science.gov (United States)

    Serna, Pedro; Gates, Bruce C

    2014-08-19

    Recent advances in the synthesis and characterization of small, essentially molecular metal complexes and metal clusters on support surfaces have brought new insights to catalysis and point the way to systematic catalyst design. We summarize recent work unraveling effects of key design variables of site-isolated catalysts: the metal, metal nuclearity, support, and other ligands on the metals, also considering catalysts with separate, complementary functions on supports. The catalysts were synthesized with the goal of structural simplicity and uniformity to facilitate incisive characterization. Thus, they are essentially molecular species bonded to porous supports chosen for their high degree of uniformity; the supports are crystalline aluminosilicates (zeolites) and MgO. The catalytic species are synthesized in reactions of organometallic precursors with the support surfaces; the precursors include M(L)2(acetylacetonate)1-2, with M = Ru, Rh, Ir, or Au and the ligands L = C2H4, CO, or CH3. Os3(CO)12 and Ir4(CO)12 are used as precursors of supported metal clusters, and some such catalysts are made by ship-in-a-bottle syntheses to trap the clusters in zeolite cages. The simplicity and uniformity of the supported catalysts facilitate precise structure determinations, even in reactive atmospheres and during catalysis. The methods of characterizing catalysts in reactive atmospheres include infrared (IR), extended X-ray absorption fine structure (EXAFS), X-ray absorption near edge structure (XANES), and nuclear magnetic resonance (NMR) spectroscopies, and complementary methods include density functional theory and atomic-resolution aberration-corrected scanning transmission electron microscopy for imaging of individual metal atoms. IR, NMR, XANES, and microscopy data demonstrate the high degrees of uniformity of well-prepared supported species. The characterizations determine the compositions of surface metal complexes and clusters, including the ligands and the metal

  8. CORROSION RESISTANCE OF ORGANOMETALLIC COATING APLICATED IN FUEL TANKS USING ELECTROCHEMICAL IMPEDANCE SPECTROSCOPY IN BIOFUEL – PART I

    Directory of Open Access Journals (Sweden)

    Milene Adriane Luciano

    2014-10-01

    Full Text Available Nowadays, the industry has opted for more sustainable production processes, and the planet has also opted for new energy sources. From this perspective, automotive tanks with organometallic coatings as well as a partial substitution of fossil fuels by biofuels have been developed. These organometallic coated tanks have a zinc layer, deposited by a galvanizing process, formed between the steel and the organometallic coating. This work aims to characterize the organometallic coating used in metal automotive tanks and evaluate their corrosion resistance in contact with hydrated ethyl alcohol fuel (AEHC. For this purpose, the resistance of all layers formed between Zinc and EEP steel and also the tin coated steel, which has been used for over thirty years, were evaluated. The technique chosen was the Electrochemical Impedance Spectroscopy. The results indicated an increase on the corrosion resistance when organometallic coatings are used in AEHC medium. In addition to that, these coatings allow an estimated 25% reduction in tanks production costs.

  9. Surface and Interface Engineering of Organometallic and Two Dimensional Semiconductor

    Science.gov (United States)

    Park, Jun Hong

    For over half a century, inorganic Si and III-V materials have led the modern semiconductor industry, expanding to logic transistor and optoelectronic applications. However, these inorganic materials have faced two different fundamental limitations, flexibility for wearable applications and scaling limitation as logic transistors. As a result, the organic and two dimensional have been studied intentionally for various fields. In the present dissertation, three different studies will be presented with followed order; (1) the chemical response of organic semiconductor in NO2 exposure. (2) The surface and stability of WSe2 in ambient air. (3) Deposition of dielectric on two dimensional materials using organometallic seeding layer. The organic molecules rely on the van der Waals interaction during growth of thin films, contrast to covalent bond inorganic semiconductors. Therefore, the morphology and electronic property at surface of organic semiconductor in micro scale is more sensitive to change in gaseous conditions. In addition, metal phthalocyanine, which is one of organic semiconductor materials, change their electronic property as reaction with gaseous analytes, suggesting as potential chemical sensing platforms. In the present part, the growth behavior of metal phthalocyanine and surface response to gaseous condition will be elucidated using scanning tunneling microscopy (STM). In second part, the surface of layered transition metal dichalcogenides and their chemical response to exposure ambient air will be investigated, using STM. Layered transition metal dichalcogenides (TMDs) have attracted widespread attention in the scientific community for electronic device applications because improved electrostatic gate control and suppression of short channel leakage resulted from their atomic thin body. To fabricate the transistor based on TMDs, TMDs should be exposed to ambient conditions, while the effect of air exposure has not been understood fully. In this part

  10. Beyond organometallic flow chemistry : the principles behind the use of continuous-flow reactors for synthesis

    NARCIS (Netherlands)

    Noel, T.; Su, Y.; Hessel, V.; Noël, T.

    2015-01-01

    Flow chemistry is typically used to enable challenging reactions which are difficult to carry out in conventional batch equipment. Consequently, the use of continuous-flow reactors for applications in organometallic and organic chemistry has witnessed a spectacular increase in interest from the

  11. Redox responsive nanotubes from organometallic polymers by template assisted layer by layer fabrication

    NARCIS (Netherlands)

    Song, Jing; Janczewski, D.J.; Guo, Y.Y.; Guo, Yuanyuan; Xu, Jianwei; Vancso, Gyula J.

    2013-01-01

    Redox responsive nanotubes were fabricated by the template assisted layer-by-layer (LbL) assembly method and employed as platforms for molecular payload release. Positively and negatively charged organometallic poly(ferrocenylsilane)s (PFS) were used to construct the nanotubes, in combination with

  12. A golden future in medicinal inorganic chemistry : The promise of anticancer gold organometallic compounds

    NARCIS (Netherlands)

    Bertrand, B.; Casini, A.

    2014-01-01

    From wedding rings on fingers to stained glass windows, by way of Olympic medals, gold has been highly prized for millennia. Nowadays, organometallic gold compounds occupy an important place in the field of medicinal inorganic chemistry due to their unique chemical properties with respect to gold

  13. Efficient organometallic spin filter between single-wall carbon nanotube or graphene electrodes

    DEFF Research Database (Denmark)

    Koleini, Mohammad; Paulsson, Magnus; Brandbyge, Mads

    2007-01-01

    We present a theoretical study of spin transport in a class of molecular systems consisting of an organometallic benzene-vanadium cluster placed in between graphene or single-wall carbon-nanotube-model contacts. Ab initio modeling is performed by combining spin density functional theory...

  14. Homogeneous photocatalytic reactions with organometallic and coordination compounds--perspectives for sustainable chemistry.

    Science.gov (United States)

    Hoffmann, Norbert

    2012-02-13

    Since the time of Giacomo Ciamician at the beginning of the 20th century, photochemical transformations have been recognized as contributing to sustainable chemistry. Electronic excitation significantly changes the reactivity of chemical compounds. Thus, the application of activation reagents is frequently avoided and transformations can be performed under mild conditions. Catalysis plays a central role in sustainable chemistry. Stoichiometric amounts of activation reagents are often avoided. This fact and the milder catalytic reaction conditions diminish the formation of byproducts. In the case of homogeneous catalysis, organometallic compounds are often applied. The combination of both techniques develops synergistic effects in the sense of "Green Chemistry". Herein, metal carbonyl-mediated reactions are reported. These transformations are of considerable interest for the synthesis of complex polyfunctionalized compounds. Copper(I)-catalyzed [2+2] photocycloaddition gives access to a large variety of cyclobutane derivatives. Currently, a large number of publications deal with photochemical electron-transfer-induced reactions with organometallic and coordination compounds, particularly with ruthenium complexes. Several photochemically induced oxidations can easily be performed with air or molecular oxygen when they are catalyzed with organometallic complexes. Photochemical reaction conditions also play a certain role in C-H activation with organometallic catalysts, for instance, with alkanes, although such transformations are conveniently performed with a variety of other photochemical reactions. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  15. Organometallic benzene-vanadium wire: A one-dimensional half-metallic ferromagnet

    DEFF Research Database (Denmark)

    Maslyuk, V.; Bagrets, A.; Meded, V.

    2006-01-01

    Using density functional theory we perform theoretical investigations of the electronic properties of a freestanding one-dimensional organometallic vanadium-benzene wire. This system represents the limiting case of multidecker V-n(C6H6)(n+1) clusters which can be synthesized with established meth...

  16. Theoretical Study of Indium Compounds of Interest for Organometallic Chemical Vapor Deposition

    Science.gov (United States)

    Cardelino, B. H.; Moore, C. E.; Cardelino, C. A.; Frazier, D. O.; Backmann, K. J.

    2000-01-01

    The structural. electronic and therinochemical properties of indium compounds which are of interest in halide transport and organometallic chemical vapor deposition processes have been studied by ab initio and statistical mechanics methods. The compounds reported include: indium halides and hydrides (InF, InCl, InCl3, InH, InH2, InH3); indium clusters (In2, In3); methylindium, dimethylindium, and their hydrogen derivatives [In(CH3), In(CH3)H, In(CH3)H2, In(CH3)2, In(CH3)2H]; dimethyl-indium dimer [In2(CH3)4], trimethyl-indium [In(CH3)3]; dehydrogenated methyl, dimethyl and trimethylindium [In(CH3)2CH2, In(CH3)CH2, In(CH2)], trimethylindium adducts with ammonia, trimethylamine and hydrazine [(CH3)3In:NH3, (CH3)3In:N(CH3)3, (CH3)3In:N(H2)N(H2)]; dimethylamino-indium and methylimino-indium [In(CH3)2(NH2), In(CH3)(NH)]; indium nitride and indium nitride dimer (InN, In2N2), indium phosphide, arsenide and antimonide ([InP, InAs, InSb). The predicted electronic properties are based on density functional theory calculations; the calculated thermodynamic properties are reported following the format of the JANAF (Joint Army, Navy, NASA, Air Force) Tables. Equilibrium compositions at two temperatures (298 and 1000 K) have been analyzed for groups of competing simultaneous reactions.

  17. Mechanistic Studies at the Interface Between Organometallic Chemistry and Homogeneous Catalysis

    Energy Technology Data Exchange (ETDEWEB)

    Casey, Charles P

    2012-11-14

    Mechanistic Studies at the Interface Between Organometallic Chemistry and Homogeneous Catalysis Charles P. Casey, Principal Investigator Department of Chemistry, University of Wisconsin - Madison, Madison, Wisconsin 53706 Phone 608-262-0584 FAX: 608-262-7144 Email: casey@chem.wisc.edu http://www.chem.wisc.edu/main/people/faculty/casey.html Executive Summary. Our goal was to learn the intimate mechanistic details of reactions involved in homogeneous catalysis and to use the insight we gain to develop new and improved catalysts. Our work centered on the hydrogenation of polar functional groups such as aldehydes and ketones and on hydroformylation. Specifically, we concentrated on catalysts capable of simultaneously transferring hydride from a metal center and a proton from an acidic oxygen or nitrogen center to an aldehyde or ketone. An economical iron based catalyst was developed and patented. Better understanding of fundamental organometallic reactions and catalytic processes enabled design of energy and material efficient chemical processes. Our work contributed to the development of catalysts for the selective and mild hydrogenation of ketones and aldehydes; this will provide a modern green alternative to reductions by LiAlH4 and NaBH4, which require extensive work-up procedures and produce waste streams. (C5R4OH)Ru(CO)2H Hydrogenation Catalysts. Youval Shvo described a remarkable catalytic system in which the key intermediate (C5R4OH)Ru(CO)2H (1) has an electronically coupled acidic OH unit and a hydridic RuH unit. Our efforts centered on understanding and improving upon this important catalyst for reduction of aldehydes and ketones. Our mechanistic studies established that the reduction of aldehydes by 1 to produce alcohols and a diruthenium bridging hydride species occurs much more rapidly than regeneration of the ruthenium hydride from the diruthenium bridging hydride species. Our mechanistic studies require simultaneous transfer of hydride from ruthenium to

  18. Generation of Well-Defined Pairs of Silylamine on Highly Dehydroxylated SBA-15: Application to the Surface Organometallic Chemistry of Zirconium

    KAUST Repository

    Azzi, Joachim

    2012-11-01

    Design of a new well-defined surface organometallic species [O-(=Si–NH)2Zr(IV)Np2] has been obtained by reaction of tetraneopentyl zirconium (ZrNp4) on SBA-15 surface displaying mainly silylamine pairs [O-(=Si–NH2)2]. These surface species have been achieved by an ammonia treatment of a highly dehydroxylated SBA-15 at 1000°C (SBA-151000). This support is known to contain mainly strained reactive siloxane bridges (≡Si-O-Si≡)[1] along with a small amount of isolated plus germinal silanols =Si(OH)2. Chemisorption of ammonia occurs primarily by opening these siloxane bridges[2] to generate silanol/silylamine pairs [O-(=Si–NH2)(=SiOH)] followed by substitution of the remaining silanol. Further treatment using hexamethyldisilazane (HMDS) results in the protection of the isolated remaining silanol groups by formation of ≡Si-O-SiMe3 and =Si(OSiMe3)2 but leaves ≡SiNH2 untouched. After reaction of this functionalized surface with ZrNp4, this latter displays mainly a bi-podal zirconium neopentyl organometallic complex [O-(=Si–NH)2Zr(IV)Np2] which has been fully characterized by diverse methods such as infrared transmission spectroscopy, magic angle spinning solid state nuclear magnetic resonance, surface elemental analysis, small angle X-ray powder diffraction (XRD), nitrogen adsorption and energy filtered transmission electron microscopy (EFTEM). These different characterization tools unambiguously prove that the zirconium organometallic complex reacts mostly with silylamine pairs to give a bi-podal zirconium bis-neopentyl complex, uniformly distributed into the channels of SBA-151000. Therefore this new material opens a new promising research area in Surface Organometallic Chemistry which, so far, was dealing mainly with O containing surface. It is expected that vicinal amine functions may play a very different role as compared with classical inorganic supports. Given the importance in the last decades of N containing ligands in catalysis, one may expect

  19. ORGANOMETALLIC IRON(II) COMPLEXES CONTAINING P-SUBSTITUTED ACETOPHENONE-ARYLHYDRAZONE LIGANDS

    OpenAIRE

    Manzur, Carolina; Millán, Lorena; Figueroa, Walter; Hamon, Jean-René; Mata, Jose A.; Carrillo, David

    2002-01-01

    A series of twelve new organometallic acetophenone-hydrazone complexes of general formula [(h 5-Cp)Fe(h 6-o-RC6H4)-NHN=CMe-C6H4-p-R’]+PF6- (Cp= C5H5; R,R’=H,Me, [5]+PF6-; H,MeO, [6]+PF6-; H,NMe2, [7]+PF6-; Me,Me, [8]+PF6-; Me,MeO, [9]+PF6-; Me,NMe2, [10]+PF6-; MeO,Me, [11]+PF6-; MeO,MeO, [12]+PF6-; MeO,NMe2, [13]+PF6-; Cl,Me, [14]+PF6-; Cl,MeO, [15]+PF6-; Cl,NMe2, [16]+PF6-) has been prepared by reaction between their corresponding organometallic hydrazine precursors [(h 5-Cp)Fe(h 6-o-RC6H4)-...

  20. Energy and chemicals from the selective electrooxidation of renewable diols by organometallic fuel cells.

    Science.gov (United States)

    Bellini, Marco; Bevilacqua, Manuela; Filippi, Jonathan; Lavacchi, Alessandro; Marchionni, Andrea; Miller, Hamish A; Oberhauser, Werner; Vizza, Francesco; Annen, Samuel P; Grützmacher, H

    2014-09-01

    Organometallic fuel cells catalyze the selective electrooxidation of renewable diols, simultaneously providing high power densities and chemicals of industrial importance. It is shown that the unique organometallic complex [Rh(OTf)(trop2NH)(PPh3)] employed as molecular active site in an anode of an OMFC selectively oxidizes a number of renewable diols, such as ethylene glycol , 1,2-propanediol (1,2-P), 1,3-propanediol (1,3-P), and 1,4-butanediol (1,4-B) to their corresponding mono-carboxylates. The electrochemical performance of this molecular catalyst is discussed, with the aim to achieve cogeneration of electricity and valuable chemicals in a highly selective electrooxidation from diol precursors. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  1. The Future of Polar Organometallic Chemistry Written in Bio-Based Solvents and Water.

    Science.gov (United States)

    García-Álvarez, Joaquín; Hevia, Eva; Capriati, Vito

    2018-06-19

    There is a strong imperative to reduce the release of volatile organic compounds (VOCs) into the environment, and many efforts are currently being made to replace conventional hazardous VOCs in favour of safe, green and bio-renewable reaction media that are not based on crude petroleum. Recent ground-breaking studies from a few laboratories worldwide have shown that both Grignard and (functionalised) organolithium reagents, traditionally handled under strict exclusion of air and humidity and in anhydrous VOCs, can smoothly promote both nucleophilic additions to unsaturated substrates and nucleophilic substitutions in water and other bio-based solvents (glycerol, deep eutectic solvents), competitively with protonolysis, at room temperature and under air. The chemistry of polar organometallics in the above protic media is a complex phenomenon influenced by several factors, and understanding its foundational character is surely stimulating in the perspective of the development of a sustainable organometallic chemistry. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  2. Induced-fit recognition of DNA by organometallic complexes with dynamic stereogenic centers

    Czech Academy of Sciences Publication Activity Database

    Chen, H.; Parkinson, J. A.; Nováková, Olga; Bella, J.; Wang, F.; Dawson, A.; Gould, R.; Parsons, S.; Brabec, Viktor; Sadler, P. J.

    2003-01-01

    Roč. 100, č. 25 (2003), s. 14623-14628 ISSN 0027-8424 R&D Projects: GA ČR GA305/02/1552; GA ČR GA305/01/0418; GA AV ČR IAA5004101 Institutional research plan: CEZ:AV0Z5004920 Keywords : organometallic complexes * platinum * DNA Subject RIV: BO - Biophysics Impact factor: 10.272, year: 2003

  3. Investigation of organometallic reaction mechanisms with one and two dimensional vibrational spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Cahoon, James Francis [Univ. of California, Berkeley, CA (United States)

    2008-12-01

    One and two dimensional time-resolved vibrational spectroscopy has been used to investigate the elementary reactions of several prototypical organometallic complexes in room temperature solution. The electron transfer and ligand substitution reactions of photogenerated 17-electron organometallic radicals CpW(CO)3 and CpFe(CO)2 have been examined with one dimensional spectroscopy on the picosecond through microsecond time-scales, revealing the importance of caging effects and odd-electron intermediates in these reactions. Similarly, an investigation of the photophysics of the simple Fischer carbene complex Cr(CO)5[CMe(OMe)] showed that this class of molecule undergoes an unusual molecular rearrangement on the picosecond time-scale, briefly forming a metal-ketene complex. Although time-resolved spectroscopy has long been used for these types of photoinitiated reactions, the advent of two dimensional vibrational spectroscopy (2D-IR) opens the possibility to examine the ultrafast dynamics of molecules under thermal equilibrium conditions. Using this method, the picosecond fluxional rearrangements of the model metal carbonyl Fe(CO)5 have been examined, revealing the mechanism, time-scale, and transition state of the fluxional reaction. The success of this experiment demonstrates that 2D-IR is a powerful technique to examine the thermally-driven, ultrafast rearrangements of organometallic molecules in solution.

  4. Organometallic copper I, II or III species in an intramolecular dechlorination reaction

    KAUST Repository

    Poater, Albert

    2013-03-15

    The present paper gives insight into an intramolecular dechlorination reaction involving Copper (I) and an ArCH2Cl moiety. The discussion of the presence of a CuIII organometallic intermediate becomes a challenge, and because of the lack of clear experimental detection of this proposed intermediate, and due to the computational evidence that it is less stable than other isomeric species, it can be ruled out for the complex studied here. Our calculations are completely consistent with the key hypothesis of Karlin et al. that TMPA-CuI is the substrate of intramolecular dechlorination reactions as well as the source to generate organometallic species. However the organometallic character of some intermediates has been refused because computationally these species are less stable than other isomers. Thus this study constitutes an additional piece towards the full understanding of a class of reaction of biological relevance. Further, the lack of high energy barriers and deep energy wells along the reaction pathway explains the experimental difficulties to trap other intermediates. © Springer-Verlag Berlin Heidelberg 2013.

  5. 2011 Organometallic Chemistry (July 10-15, 2011, Salve Regina University, Newport, RI)

    Energy Technology Data Exchange (ETDEWEB)

    Dr. Emilio Bunel

    2011-07-15

    Organometallic chemistry has played and will continue to play a significant role in helping us understand the way bonds are made or broken in the presence of a transition metal complex. Current challenges range from the efficient exploitation of energy resources to the creative use of natural and artificial enzymes. Most of the new advances in the area are due to our extended understanding of processes at a molecular level due to new mechanistic studies, techniques to detect reaction intermediates and theory. The conference will bring the most recent advances in the field including nanocatalysis, surface organometallic chemistry, characterization techniques, new chemical reactivity and theoretical approaches along with applications to organic synthesis and the discovery of new materials. The Conference will bring together a collection of investigators who are at the forefront of their field, and will provide opportunities for junior scientists and graduate students to present their work in poster format and exchange ideas with leaders in the field. Six outstanding posters will be selected for short talks. The collegial atmosphere of this Conference, with programmed discussion sessions as well as opportunities for informal gatherings in the afternoons and evenings, provides an avenue for scientists from different disciplines to brainstorm and promotes cross-disciplinary collaborations in the various research areas represented. Graduate students and postdoctoral fellows should also consider participating in the Gordon Research Seminar on Organometallic Chemistry (July 9-10, same location) which is specially designed to promote interaction and discussion between junior scientists.

  6. Organometallic photovoltaics: a new and versatile approach for harvesting solar energy using conjugated polymetallaynes.

    Science.gov (United States)

    Wong, Wai-Yeung; Ho, Cheuk-Lam

    2010-09-21

    Energy remains one of the world's great challenges. Growing concerns about limited fossil fuel resources and the accumulation of CO(2) in the atmosphere from burning those fuels have stimulated tremendous academic and industrial interest. Researchers are focusing both on developing inexpensive renewable energy resources and on improving the technologies for energy conversion. Solar energy has the capacity to meet increasing global energy needs. Harvesting energy directly from sunlight using photovoltaic technology significantly reduces atmospheric emissions, avoiding the detrimental effects of these gases on the environment. Currently inorganic semiconductors dominate the solar cell production market, but these materials require high technology production and expensive materials, making electricity produced in this manner too costly to compete with conventional sources of electricity. Researchers have successfully fabricated efficient organic-based polymer solar cells (PSCs) as a lower cost alternative. Recently, metalated conjugated polymers have shown exceptional promise as donor materials in bulk-heterojunction solar cells and are emerging as viable alternatives to the all-organic congeners currently in use. Among these metalated conjugated polymers, soluble platinum(II)-containing poly(arylene ethynylene)s of variable bandgaps (∼1.4-3.0 eV) represent attractive candidates for a cost-effective, lightweight solar-energy conversion platform. This Account highlights and discusses the recent advances of this research frontier in organometallic photovoltaics. The emerging use of low-bandgap soluble platinum-acetylide polymers in PSCs offers a new and versatile strategy to capture sunlight for efficient solar power generation. Properties of these polyplatinynes--including their chemical structures, absorption coefficients, bandgaps, charge mobilities, accessibility of triplet excitons, molecular weights, and blend film morphologies--critically influence the device

  7. Phase Transition Enthalpy Measurements of Organic and Organometallic Compounds and Ionic Liquids. Sublimation, Vaporization, and Fusion Enthalpies from 1880 to 2015. Part 2. C11-C192

    Science.gov (United States)

    Acree, William; Chickos, James S.

    2017-03-01

    The second part of this compendium concludes with a collection of phase change enthalpies of organic molecules inclusive of C11-C192 reported over the period 1880-2015. Also included are phase change enthalpies including fusion, vaporization, and sublimation enthalpies for organometallic, ionic liquids, and a few inorganic compounds. Paper I of this compendium, published separately, includes organic compounds from C1 to C10 and describes a group additivity method for evaluating solid, liquid, and gas phase heat capacities as well as temperature adjustments of phase changes. Paper II of this compendium also includes an updated version of a group additivity method for evaluating total phase change entropies which together with the fusion temperature can be useful in estimating total phase change enthalpies. Other uses include application in identifying potential substances that either form liquid or plastic crystals or exhibit additional phase changes such as undetected solid-solid transitions or behave anisotropically in the liquid state.

  8. Horizons of organic and organoelemental chemistry. 7. All-Russian conference on organometallic chemistry. Program and summaries of communications. V. 1

    International Nuclear Information System (INIS)

    1999-01-01

    Abstracts of the seventh All-Russian conference on organometallic chemistry are presented. The synthesis of organometallic compounds of rare earth, transition elements, the synthesis of organic boron compounds are played an important role in modern organic chemistry and the main part of reports are devoted to these problems. Methods of labelling by radioactive isotopes of organic compounds used in medicine are discussed

  9. A paradigm shift for radical SAM reactions: The organometallic intermediate Ω is central to catalysis.

    Science.gov (United States)

    Byer, Amanda S; Yang, Hao; McDaniel, Elizabeth C; Kathiresan, Venkatesan; Impano, Stella; Pagnier, Adrien; Watts, Hope; Denler, Carly; Vagstad, Anna; Piel, Jörn; Duschene, Kaitlin S; Shepard, Eric M; Shields, Thomas P; Scott, Lincoln G; Lilla, Edward A; Yokoyama, Kenichi; Broderick, William E; Hoffman, Brian M; Broderick, Joan B

    2018-06-28

    Radical S-adenosyl-L-methionine (SAM) en-zymes comprise a vast superfamily catalyzing diverse reactions essential to all life through ho-molytic SAM cleavage to liberate the highly-reactive 5-deoxyadenosyl radical (5-dAdo•). Our recent observation of a catalytically compe-tent organometallic intermediate Ω that forms dur-ing reaction of the radical SAM (RS) enzyme py-ruvate formate-lyase activating-enzyme (PFL-AE) was therefore quite surprising, and led to the question of its broad relevance in the superfamily. We now show that Ω in PFL-AE forms as an in-termediate under a variety of mixing order condi-tions, suggesting it is central to catalysis in this enzyme. We further demonstrate that Ω forms in a suite of RS enzymes chosen to span the totality of superfamily reaction types, implicating Ω as essential in catalysis across the RS superfamily. Finally, EPR and electron nuclear double reso-nance spectroscopy establish that Ω involves an Fe-C5 bond between 5-dAdo• and the [4Fe-4S] cluster. An analogous organometallic bond is found in the well-known adenosylcobalamin (co-enzyme B12) cofactor used to initiate radical reac-tions via a 5'-dAdo• intermediate. Generation of a 5'-dAdo• intermediate via homolytic metal-carbon bond cleavage thus appears to be similar for Ω and coenzyme B12. However coenzyme B12 is involved in enzymes catalyzing of only a small number (~12) of distinct reactions, while the RS superfamily has more than 100,000 distinct se-quences and over 80 reaction types character-ized to date. The appearance of Ω across the RS superfamily therefore dramatically enlarges the sphere of bio-organometallic chemistry in Nature.

  10. Systems and methods for solar energy storage, transportation, and conversion utilizing photochemically active organometallic isomeric compounds and solid-state catalysts

    Science.gov (United States)

    Vollhardt, K. Peter C.; Segalman, Rachel A; Majumdar, Arunava; Meier, Steven

    2015-02-10

    A system for converting solar energy to chemical energy, and, subsequently, to thermal energy includes a light-harvesting station, a storage station, and a thermal energy release station. The system may include additional stations for converting the released thermal energy to other energy forms, e.g., to electrical energy and mechanical work. At the light-harvesting station, a photochemically active first organometallic compound, e.g., a fulvalenyl diruthenium complex, is exposed to light and is photochemically converted to a second, higher-energy organometallic compound, which is then transported to a storage station. At the storage station, the high-energy organometallic compound is stored for a desired time and/or is transported to a desired location for thermal energy release. At the thermal energy release station, the high-energy organometallic compound is catalytically converted back to the photochemically active organometallic compound by an exothermic process, while the released thermal energy is captured for subsequent use.

  11. Understanding organometallic reaction mechanisms and catalysis experimental and computational tools computational and experimental tools

    CERN Document Server

    Ananikov, Valentin P

    2014-01-01

    Exploring and highlighting the new horizons in the studies of reaction mechanisms that open joint application of experimental studies and theoretical calculations is the goal of this book. The latest insights and developments in the mechanistic studies of organometallic reactions and catalytic processes are presented and reviewed. The book adopts a unique approach, exemplifying how to use experiments, spectroscopy measurements, and computational methods to reveal reaction pathways and molecular structures of catalysts, rather than concentrating solely on one discipline. The result is a deeper

  12. Catalysis by Design Using Surface Organometallic Nitrogen-Containing Fragments

    KAUST Repository

    Hamzaoui, Bilel

    2016-06-14

    The aim of this thesis is to explore the chemistry of well-defined silica-supported group 4 and group 5 complexes that contain one or more multiply-bonded nitrogen atoms. Such species have been recognized as crucial intermediates in many catalytic reactions (e.g. hydroaminoalkylation, olefin hydrogenation, imine metathesis…). The first chapter provided a bibliographic overview of the preparation and the reactivity of group 4 and 5 complexes towards hydroaminoalkylation and imine metathesis catalysis. The second chapter deals with the isolation and the characterization of a series of well-defined group 4 ƞ2-imine complexes surfaces species. 2D solid-state NMR (1H–13C HETCOR, Multiple Quantum) experiments have revealed consistently a unique structural rearrangement, viz azametallacycle occurring on the immobilized metal-amido ligands. Hydrogenolysis of the sole Zr-C bond in such species gives selectively a silica-supported zirconium monohydride that can perform the catalytic hydrogenation of olefins. The third chapter examines the mechanistic studies of the intermolecular hydroaminoalkylation using SOMC to identify the key metallacyclic surface intermediates (silica-supported three-membred and five-membered). The catalyst was regenerated by protonolysis and afforded pure amine. Catalytic testing of a selection of amine compounds with variable electronic properties was carried out. The fourth chapter deals with the generation and the characterization of well-defined silica-supported zirconium-imido complexes. The resulting species effectively catalyzes imine/imine cross-metathesis and thus considered as the first heterogeneous catalysts active for imine metathesis reaction. The fifth chapter studies the reaction of SBA15.1100 ºC with dry aniline and derivatives leading to opening strained siloxane bridges into acid-base paired functionalities (formation of N-phenylsilanamine-silanol pairs). This approach was successfully applied to the design of a series of

  13. Organometallic Reactions Development, Mechanistic Studies and Synthetic Applications

    DEFF Research Database (Denmark)

    Dam, Johan Hygum

    of the successful total synthesis of the cyclophane cavicularin, which contains a bent aromatic moiety. The pivotal step in the synthesis embodied a pyrone-alkyne Diels-Alder cycloaddition with CO2-extrusion to deliver the bent aromatic residue. The fourth project involved further development of the conditions...... previously discovered in the Madsen group for the direct coupling of alcohols and amines to amides under dihydrogen liberation. The goal was to synthesize isolatable ruthenium catalysts and two 18-electron complexes capable of performing the reaction in excellent yields were prepared and characterized...

  14. A structurally characterized organometallic plutonium(IV) complex

    Energy Technology Data Exchange (ETDEWEB)

    Apostolidis, Christos; Walter, Olaf [European Commission, Joint Research Centre, Directorate G - Nuclear Safety and Security, Karlsruhe (Germany); Vogt, Jochen; Liebing, Phil; Edelmann, Frank T. [Chemisches Institut, Otto-von-Guericke-Universitaet Magdeburg (Germany); Maron, Laurent [Laboratoire de Physique et Chimie des Nanoobjets (LPCNO), Universite de Toulouse/INSA/CNRS (UMR5215), Toulouse (France)

    2017-04-24

    The blood-red plutonocene complex Pu(1,3-COT'')(1,4-COT'') (4; COT''=η{sup 8}-bis(trimethylsilyl)cyclooctatetraenyl) has been synthesized by oxidation of the anionic sandwich complex Li[Pu(1,4-COT''){sub 2}] (3) with anhydrous cobalt(II) chloride. The first crystal structure determination of an organoplutonium(IV) complex revealed an asymmetric sandwich structure for 4 where one COT'' ring is 1,3-substituted while the other retains the original 1,4-substitution pattern. The electronic structure of 4 has been elucidated by a computational study, revealing a probable cause for the unexpected silyl group migration. (copyright 2017 Wiley-VCH Verlag GmbH and Co. KGaA, Weinheim)

  15. Toxicology of organic-inorganic hybrid molecules: bio-organometallics and its toxicology.

    Science.gov (United States)

    Fujie, Tomoya; Hara, Takato; Kaji, Toshiyuki

    2016-01-01

    Bio-organometallics is a research strategy of biology that uses organic-inorganic hybrid molecules. The molecules are expected to exhibit useful bioactivities based on the unique structure formed by interaction between the organic structure and intramolecular metal(s). However, studies on both biology and toxicology of organic-inorganic hybrid molecules have been incompletely performed. There can be two types of toxicological studies of bio-organometallics; one is evaluation of organic-inorganic hybrid molecules and the other is analysis of biological systems from the viewpoint of toxicology using organic-inorganic hybrid molecules. Our recent studies indicate that cytotoxicity of hybrid molecules containing a metal that is nontoxic in inorganic forms can be more toxic than that of hybrid molecules containing a metal that is toxic in inorganic forms when the structure of the ligand is the same. Additionally, it was revealed that organic-inorganic hybrid molecules are useful for analysis of biological systems important for understanding the toxicity of chemical compounds including heavy metals.

  16. The optical characterization of organometallic complex thin films by spectroscopic ellipsometry and photovoltaic diode application

    Energy Technology Data Exchange (ETDEWEB)

    Özaydın, C. [Batman University, Engineering Faculty, Department of Computer Eng., Batman (Turkey); Güllü, Ö., E-mail: omergullu@gmail.com [Batman University, Science and Art Faculty, Department of Physics, Batman (Turkey); Pakma, O. [Batman University, Science and Art Faculty, Department of Physics, Batman (Turkey); Ilhan, S. [Siirt University, Science and Art Faculty, Department of Chemistry, Siirt (Turkey); Akkılıç, K. [Dicle University, Education Faculty, Department of Physics Education, Diyarbakır (Turkey)

    2016-05-15

    Highlights: • Optical properties and thickness of the A novel organometallic complex (OMC) film were investigated by spectroscopic ellipsometry (SE). • Au/OMC/n-Si metal/interlayer/semiconductor (MIS) diode has been fabricated • This paper presents the I–V analysis of Au/OMC/n-Si MIS diode. • Current–voltage and photovoltaic properties of the diode were investigated. - Abstract: In this work, organometallic complex (OMC) films have been deposited onto glass or silicon substrates by spin coating technique and their photovoltaic application potential has been investigated. Optical properties and thickness of the film have been investigated by spectroscopic ellipsometry (SE). Also, transmittance spectrum has been taken by UV/vis spectrophotometer. The optical method has been used to determine the band gap value of the films. Also, Au/OMC/n-Si metal/interlayer/semiconductor (MIS) diode has been fabricated. Current–voltage and photovoltaic properties of the structure were investigated. The ideality factor (n) and barrier height (Φ{sub b}) values of the diode were found to be 2.89 and 0.79 eV, respectively. The device shows photovoltaic behavior with a maximum open-circuit voltage of 396 mV and a short circuit current of 33.8 μA under 300 W light.

  17. The optical characterization of organometallic complex thin films by spectroscopic ellipsometry and photovoltaic diode application

    International Nuclear Information System (INIS)

    Özaydın, C.; Güllü, Ö.; Pakma, O.; Ilhan, S.; Akkılıç, K.

    2016-01-01

    Highlights: • Optical properties and thickness of the A novel organometallic complex (OMC) film were investigated by spectroscopic ellipsometry (SE). • Au/OMC/n-Si metal/interlayer/semiconductor (MIS) diode has been fabricated • This paper presents the I–V analysis of Au/OMC/n-Si MIS diode. • Current–voltage and photovoltaic properties of the diode were investigated. - Abstract: In this work, organometallic complex (OMC) films have been deposited onto glass or silicon substrates by spin coating technique and their photovoltaic application potential has been investigated. Optical properties and thickness of the film have been investigated by spectroscopic ellipsometry (SE). Also, transmittance spectrum has been taken by UV/vis spectrophotometer. The optical method has been used to determine the band gap value of the films. Also, Au/OMC/n-Si metal/interlayer/semiconductor (MIS) diode has been fabricated. Current–voltage and photovoltaic properties of the structure were investigated. The ideality factor (n) and barrier height (Φ_b) values of the diode were found to be 2.89 and 0.79 eV, respectively. The device shows photovoltaic behavior with a maximum open-circuit voltage of 396 mV and a short circuit current of 33.8 μA under 300 W light.

  18. Interplay between experiments and calculations for organometallic clusters and caged clusters

    International Nuclear Information System (INIS)

    Nakajima, Atsushi

    2015-01-01

    Clusters consisting of 10-1000 atoms exhibit size-dependent electronic and geometric properties. In particular, composite clusters consisting of several elements and/or components provide a promising way for a bottom-up approach for designing functional advanced materials, because the functionality of the composite clusters can be optimized not only by the cluster size but also by their compositions. In the formation of composite clusters, their geometric symmetry and dimensionality are emphasized to control the physical and chemical properties, because selective and anisotropic enhancements for optical, chemical, and magnetic properties can be expected. Organometallic clusters and caged clusters are demonstrated as a representative example of designing the functionality of the composite clusters. Organometallic vanadium-benzene forms a one dimensional sandwich structure showing ferromagnetic behaviors and anomalously large HOMO-LUMO gap differences of two spin orbitals, which can be regarded as spin-filter components for cluster-based spintronic devices. Caged clusters of aluminum (Al) are well stabilized both geometrically and electronically at Al 12 X, behaving as a “superatom”

  19. Binding CO2 from Air by a Bulky Organometallic Cation Containing Primary Amines.

    Science.gov (United States)

    Luo, Yang-Hui; Chen, Chen; Hong, Dan-Li; He, Xiao-Tong; Wang, Jing-Wen; Ding, Ting; Wang, Bo-Jun; Sun, Bai-Wang

    2018-03-21

    The organometallic cation 1 (Fe(bipy-NH 2 ) 3 2+ , bipy-NH 2 = 4,4'-diamino-2,2'-bipyridine), which was constructed in situ in solution, can bind CO 2 from air effectively with a stoichiometric ratio of 1:4 (1/CO 2 ), through the formation of "H-bonded CO 2 " species: [CO 2 -OH-CO 2 ] - and [CO 2 -CO 2 -OH] - . These two species, along with the captured individual CO 2 molecules, connected 1 into a novel 3D (three-dimensional) architecture, that was crystal 1·2(OH - )·4(CO 2 ). The adsorption isotherms, recycling investigations, and the heat capacity of 1 have been investigated; the results revealed that the organometallic cation 1 can be recycled at least 10 times for the real-world CO 2 capture applications. The strategies presented here may provide new hints for the development of new alkanolamine-related absorbents or technologies for CO 2 capture and sequestration.

  20. Design of supported bi-metallic nanoparticles based on Platinum and Palladium using Surface Organometallic Chemistry (SOMC)

    KAUST Repository

    Al-Shareef, Reem A.

    2017-01-01

    Well-defined silica supported bimetallic catalysts Pt100-x Pdx (where x is the molar ratio of Pd) are prepared by Surface Organometallic Chemistry (SOMC) via controlled decomposition of Pd2(allyl)2Cl2 on Pt/SiO2. For comparison purposes, Pt100-x Pdx

  1. The preparation of highly active antimicrobial silver nanoparticles by an organometallic approach

    Energy Technology Data Exchange (ETDEWEB)

    Fernandez, Eduardo J; Garcia-Barrasa, Jorge; Lopez-de-Luzuriaga, Jose M; Monge, Miguel [Departamento de Quimica Grupo de SIntesis Quimica de La Rioja, UA-CSIC, Universidad de La Rioja, Complejo CientIfico-Tecnologico, E-26004 Logrono (Spain); Laguna, Antonio [Departamento de Quimica Inorganica, Instituto de Ciencia de Materiales de Aragon, Universidad de Zaragoza-CSIC, E-50009 Zaragoza (Spain); Torres, Carmen [Departamento de Agricultura y Alimentacion, Universidad de La Rioja, Complejo Cientifico-Tecnologico, E-26004 Logrono (Spain)], E-mail: eduardo.fernandez@unirioja.es

    2008-05-07

    Silver nanoparticles of small size with a high surface to volume ratio have been prepared using an organometallic approach. For this, the complex NBu{sub 4}[Ag(C{sub 6}F{sub 5}){sub 2}] has been treated with AgClO{sub 4} in a 1:1 molar ratio, giving rise to the nanoparticle precursor [Ag(C{sub 6}F{sub 5})] in solution. Addition of one equivalent of hexadecylamine (HDA) and 5 h of reflux in toluene leads to a deep yellow solution containing monodisperse silver nanoparticles (Ag NPs) of ca. 10 nm. This approach leads to nanoparticles with almost uncontaminated surfaces which make them very reactive. Antimicrobial studies show that these nanoparticles are very active as antimicrobial agents. Very low concentrations between 12 and 25 {mu}g ml{sup -1} of Ag NPs are enough to produce bacteriostatic and bactericidal effectiveness.

  2. p-type Mesoscopic nickel oxide/organometallic perovskite heterojunction solar cells.

    Science.gov (United States)

    Wang, Kuo-Chin; Jeng, Jun-Yuan; Shen, Po-Shen; Chang, Yu-Cheng; Diau, Eric Wei-Guang; Tsai, Cheng-Hung; Chao, Tzu-Yang; Hsu, Hsu-Cheng; Lin, Pei-Ying; Chen, Peter; Guo, Tzung-Fang; Wen, Ten-Chin

    2014-04-23

    In this article, we present a new paradigm for organometallic hybrid perovskite solar cell using NiO inorganic metal oxide nanocrystalline as p-type electrode material and realized the first mesoscopic NiO/perovskite/[6,6]-phenyl C61-butyric acid methyl ester (PC61BM) heterojunction photovoltaic device. The photo-induced transient absorption spectroscopy results verified that the architecture is an effective p-type sensitized junction, which is the first inorganic p-type, metal oxide contact material for perovskite-based solar cell. Power conversion efficiency of 9.51% was achieved under AM 1.5 G illumination, which significantly surpassed the reported conventional p-type dye-sensitized solar cells. The replacement of the organic hole transport materials by a p-type metal oxide has the advantages to provide robust device architecture for further development of all-inorganic perovskite-based thin-film solar cells and tandem photovoltaics.

  3. Theoretical study of the structure and reactivity of lanthanide and actinide based organometallic complexes

    International Nuclear Information System (INIS)

    Barros, N.

    2007-06-01

    In this PhD thesis, lanthanide and actinide based organometallic complexes are studied using quantum chemistry methods. In a first part, the catalytic properties of organo-lanthanide compounds are evaluated by studying two types of reactions: the catalytic hydro-functionalization of olefins and the polymerisation of polar monomers. The reaction mechanisms are theoretically determined and validated, and the influence of possible secondary non productive reactions is envisaged. A second part focuses on uranium-based complexes. Firstly, the electronic structure of uranium metallocenes is analysed. An analogy with the uranyl compounds is proposed. In a second chapter, two isoelectronic complexes of uranium IV are studied. After validating the use of DFT methods for describing the electronic structure and the reactivity of these compounds, it is shown that their reactivity difference can be related to a different nature of chemical bonding in these complexes. (author)

  4. Zigzag-shaped nickel nanowires via organometallic template-free route

    Energy Technology Data Exchange (ETDEWEB)

    Shviro, Meital; Paszternak, Andras [Bar Ilan Institute of Nanotechnology and Advanced Materials (BINA), Bar Ilan University, Department of Chemistry (Israel); Chelly, Avraham [Bar Ilan Institute of Nanotechnology and Advanced Materials (BINA), Bar Ilan University, Department of Engineering (Israel); Zitoun, David, E-mail: david.zitoun@biu.ac.il [Bar Ilan Institute of Nanotechnology and Advanced Materials (BINA), Bar Ilan University, Department of Chemistry (Israel)

    2013-08-15

    In this manuscript, the formation of nickel nanowires of 10-20 nm in diameter (average size: several tens to hundreds of {mu}m long and 1.0-1.5 {mu}m wide) at low temperature is found to be driven by dewetting of liquid organometallic precursors during spin-coating process and by self-assembly of Ni clusters. Elaboration of metallic thin films by low-temperature deposition technique makes the preparation process compatible with most of the substrates. The use of iron and cobalt precursor shows that the process could be extended to other metallic systems. In this work, AFM and SEM are used to follow the assembly of Ni clusters into straight or zigzag lines. The formation of zigzag structure is specific to the Ni precursor at appropriate preparation parameters. This template-free process allows a control of anisotropic structures with homogeneous sizes and angles on the standard Si/SiO{sub 2} surface.

  5. Hybrid Organometallic-Inorganic Nanomaterial: Acetyl Ferrocene Schiff base Immobilized on Silica Coated Magnetite Nanoparticles

    Directory of Open Access Journals (Sweden)

    M. Masteri-Farahani

    2015-10-01

    Full Text Available In  this  work,  a  new  hybrid  organometallic-inorganic  hybrid nanomaterial was prepared by immobilization of acetyl ferrocene on the  surface  of magnetite  nanoparticles. Covalent  grafting of silica coated magnetite nanoparticles (SCMNPs with 3-aminopropyl triethoxysilane gave aminopropyl-modified magnetite nanoparticles (AmpSCMNPs. Then, Schiff base condensation  of AmpSCMNPs with acetyl  ferrocene resulted in the preparation of acferro-SCMNPs hybrid nanomaterial. Characterization of the prepared nanomaterial was performed with different physicochemical methods such as Fourier transform infrared spectroscopy (FT-IR, X-ray diffraction (XRD, vibrating sample magnetometry (VSM, thermogravimetric analysis (TGA, scanning electron microscopy (SEM, and transmission electron microscopy (TEM. VSM analysis showed superparamagnetic properties of the prepared nanomaterial and TEM and SEM analyses indicated the relatively spherical nanoparticles with 15 nm average size.

  6. The preparation of highly active antimicrobial silver nanoparticles by an organometallic approach

    International Nuclear Information System (INIS)

    Fernandez, Eduardo J; Garcia-Barrasa, Jorge; Lopez-de-Luzuriaga, Jose M; Monge, Miguel; Laguna, Antonio; Torres, Carmen

    2008-01-01

    Silver nanoparticles of small size with a high surface to volume ratio have been prepared using an organometallic approach. For this, the complex NBu 4 [Ag(C 6 F 5 ) 2 ] has been treated with AgClO 4 in a 1:1 molar ratio, giving rise to the nanoparticle precursor [Ag(C 6 F 5 )] in solution. Addition of one equivalent of hexadecylamine (HDA) and 5 h of reflux in toluene leads to a deep yellow solution containing monodisperse silver nanoparticles (Ag NPs) of ca. 10 nm. This approach leads to nanoparticles with almost uncontaminated surfaces which make them very reactive. Antimicrobial studies show that these nanoparticles are very active as antimicrobial agents. Very low concentrations between 12 and 25 μg ml -1 of Ag NPs are enough to produce bacteriostatic and bactericidal effectiveness

  7. Organometallic complexes of thiocarbanilides and substituted thiocarbanilides using manganese (II) chloride

    International Nuclear Information System (INIS)

    Babiker, Musa Elaballa Mohamed

    2000-01-01

    Organo-metallic complexes of substituted thiocarbanilide using manganese (II) chloride were prepared, these are: (VIII) 3:3'-Dichloro thiocarbanilide. Manganese (II) chloride. (IX) 3:3'-Dimethyl thiocarbanilide. Manganese (II) chloride. (X) 2:2'-dimethyl thiocarbanilide. Manganese (II) chloride. These compounds are coloured, soluble in most organic solvents, insoluble in water, decomposed by hot solvents. The physical properties of compounds (IX) and (X) were studied by UV and IR spectra, and the physical properties of compound (VIII) were studied by UV, IR, mass spectra and NMR. The molecular weight of the compound (VIII) was determined by three different methods; Rast's camphor method, mass spectra and the nitrogen contents. The stoichiometry of the reaction was found to be 2:1, and the coordination is from sulphur atom more than nitrogen.(Author)

  8. Reactive surface organometallic complexes observed using dynamic nuclear polarization surface enhanced NMR spectroscopy

    KAUST Repository

    Pump, Eva; Viger-Gravel, Jasmine; Abou-Hamad, Edy; Samantaray, Manoja; Hamzaoui, Bilel; Gurinov, Andrei; Anjum, Dalaver H.; Gajan, David; Lesage, Anne; Bendjeriou-Sedjerari, Anissa; Emsley, Lyndon; Basset, Jean-Marie

    2016-01-01

    Dynamic Nuclear Polarization Surface Enhanced NMR Spectroscopy (DNP SENS) is an emerging technique that allows access to high-sensitivity NMR spectra from surfaces. However, DNP SENS usually requires the use of radicals as an exogenous source of polarization, which has so far limited applications for organometallic surface species to those that do not react with the radicals. Here we show that reactive surface species can be studied if they are immobilized inside porous materials with suitably small windows, and if bulky nitroxide bi-radicals (here TEKPol) are used as the polarization source and which cannot enter the pores. The method is demonstrated by obtaining significant DNP enhancements from highly reactive complelxes [(equivalent to Si-O-)W(Me)(5)] supported on MCM-41, and effects of pore size (6.0, 3.0 and 2.5 nm) on the performance are discussed.

  9. Reactive surface organometallic complexes observed using dynamic nuclear polarization surface enhanced NMR spectroscopy

    KAUST Repository

    Pump, Eva

    2016-08-15

    Dynamic Nuclear Polarization Surface Enhanced NMR Spectroscopy (DNP SENS) is an emerging technique that allows access to high-sensitivity NMR spectra from surfaces. However, DNP SENS usually requires the use of radicals as an exogenous source of polarization, which has so far limited applications for organometallic surface species to those that do not react with the radicals. Here we show that reactive surface species can be studied if they are immobilized inside porous materials with suitably small windows, and if bulky nitroxide bi-radicals (here TEKPol) are used as the polarization source and which cannot enter the pores. The method is demonstrated by obtaining significant DNP enhancements from highly reactive complelxes [(equivalent to Si-O-)W(Me)(5)] supported on MCM-41, and effects of pore size (6.0, 3.0 and 2.5 nm) on the performance are discussed.

  10. Nitrogen doping of ZnSe by OMVPE using a novel organometallic precursor

    International Nuclear Information System (INIS)

    Akram, S.; Bhat, I.B.; Melas, A.A.

    1994-01-01

    We have investigated phenylhydrazine (PhHz) as a potential nitrogen dopant source in organometallic vapor phase epitaxial growth of ZnSe. Dimethylzinc and dimethylselenide were the zinc and selenium precursors, respectively. Photoluminescence and secondary ion mass spectroscopy measurements indicate that high incorporation efficiency compared to ammonia can be achieved using this dopant source. For example, nitrogen incorporation in the 2.5 x 10 18 /cm -3 level was achieved at 350 degrees C under ultraviolet excitation when the PhHz partial pressure was 1 x 10 -8 atm. These layers had 1-2 x 10 15 /cm -3 electrically active acceptors. Films grown at higher partial pressures of PhHz were highly compensated. 9 refs., 5 figs

  11. Precision design of ethylene- and polar-monomer-based copolymers by organometallic-mediated radical polymerization

    Science.gov (United States)

    Kermagoret, Anthony; Debuigne, Antoine; Jérôme, Christine; Detrembleur, Christophe

    2014-03-01

    The copolymerization of ethylene with polar monomers is a major challenge when it comes to the manufacture of materials with potential for a wide range of commercial applications. In the chemical industry, free-radical polymerization is used to make a large proportion of such copolymers, but the forcing conditions result in a lack of fine control over the architecture of the products. Herein we introduce a synthetic tool, effective under mild experimental conditions, for the precision design of unprecedented ethylene- and polar-monomer-based copolymers. We demonstrate how an organocobalt species can control the growth of the copolymer chains, their composition and the monomer distribution throughout the chain. By fine tuning the ethylene pressure during polymerization and by exploiting a unique reactive mode of the end of the organometallic chain, novel block-like copolymer structures can be prepared. This highly versatile synthetic platform provides access to a diverse range of polymer materials.

  12. Homologation chemistry with nucleophilic α-substituted organometallic reagents: chemocontrol, new concepts and (solved) challenges.

    Science.gov (United States)

    Castoldi, Laura; Monticelli, Serena; Senatore, Raffaele; Ielo, Laura; Pace, Vittorio

    2018-05-31

    The transfer of a reactive nucleophilic CH2X unit into a preformed bond enables the introduction of a fragment featuring the exact and desired degree of functionalization through a single synthetic operation. The instability of metallated α-organometallic species often poses serious questions regarding the practicability of using this conceptually intuitive and simple approach for forming C-C or C-heteroatom bonds. A deep understanding of processes regulating the formation of these nucleophiles is a precious source of inspiration not only for successfully applying theoretically feasible transformations (i.e. determining how to employ a given reagent), but also for designing new reactions which ultimately lead to the introduction of molecular complexity via short experimental sequences.

  13. Dreptul la oraș – generația a IV-a de drepturi ale omului metropolitan (The Right to city – the IVth generation of rights for the metropolitan man

    Directory of Open Access Journals (Sweden)

    Mădălina Virginia ANTONESCU

    2016-03-01

    Full Text Available The right to city begins to be recently consecrated by academic research, presenting several links with the “sustainable development” paradigm. UN documents see our contemporary world as an “urban global world”, confronted with issues as chronic poverty, lack of access to basic urban services, insufficient democratic participation to main decisions regarding the urban management. This new right can be regarded as derived from solidarity rights as the right to a healthy, clean, durable environment, as well as the right to continuous improvement of life quality, but also, it can be seen as a special, distinct kind of human right. Right to have clean, sustainable cities can be recognized, at national, regional, international levels, to individuals, to local groups (as the metropolitan inhabitants of one city or to nations (having at their disposal a collective new right to own prosperous, sustainable cities, as effect of their right to economic development. We consider the right to city as being a dynamic right, in full process of exploration and consecration within academic research, more than necessary for understanding an urban globalized world characterized by proliferation of metropolises, towns, cities, megalopolises that demand new juridical approaches.

  14. Effects of organometallic chelates and inulin in diets for laying hens on Mn and Fe absorption coefficients and their content in egg and tissue

    Directory of Open Access Journals (Sweden)

    Cornescu Gabriela Maria

    2015-01-01

    Full Text Available The aim of this study was to evaluate effects of organic sources of manganese (Mn and iron (Fe and inulin in diets for laying hens on absorption of these minerals and their deposition in egg and tissue. The study was conducted on 90 Lohmann Brown laying hens in the period from 46-52 weeks of age, assigned to 3 groups with 30 hens/group and 3 hens/cage. The hens from the control group (C received a diet based on corn, rice bran and soybean meal with 16% of crude protein, as well as 60 mg Fe/kg and 71.9 mg Mn/kg of diet in form of inorganic salts. The formulation of the experimental diets (E1 and E2 differed from C group diet by the replacement of inorganic Fe and Mn salts by organometallic chelates of these elements, at a level of 25% lower than in the premix for group C. As source of inulin, group E1 diet also included 0.5% of dry Jerusalem artichoke, while group E2 diet included 0.5% of a product based on chicory root extract. At the end of the experiment, 6 hens from each group were slaughtered and blood serum and liver samples were collected and assayed for concentration of Fe and Mn. In the final week of the experiment, 18 eggs/group were collected for determination of Fe and Mn concentration in egg yolk. Concentration of measured blood serum parameters (haemoglobin, haematocrit, Fe and Mn in experimental (E groups were lower than in group C, but no significant differences (P>0.05 were registered. Absorption coefficients of Mn had higher values in E groups than in group C, with significant increase (P0.05 between groups were observed for Mn and Fe concentration in egg yolk.

  15. Biodegradable materials as binders for IVth generation moulding sands

    OpenAIRE

    K. Major-Gabry

    2015-01-01

    This paper focuses on the possibility of using the biodegradable materials as binders (or parts of binders?compositions) for foundry moulding and core sands. Results showed that there is a great possibility of using available biodegradable materials as foundry moulding sand binders. Using biodegradable materials as partial content of new binders, or additives to moulding sands may not only decrease the toxicity and increase reclamation ability of tested moulding sands, but also accelerate the...

  16. Structure of organometallic compounds obtained by plasma of titanium isopropoxide; Estructura de compuestos organometalicos obtenidos por plasma de isopropoxido de titanio

    Energy Technology Data Exchange (ETDEWEB)

    Arreola R, M. L.

    2012-07-01

    This work presents a study on the synthesis and characterization of organometallic compounds of titanium oxide obtained from glow discharges of titanium tetraisopropoxide (TTIP) and water on glass and polyethylene. The objective is the synthesis of titanium oxide particles which can be fixed on different supports for use in further studies of contaminants degradation in effluent streams. The synthesis was carried out by plasma in a glass tubular reactor of 750 cm{sup 3} and 15 cm length at 10{sup -1} mbar with power between 100 and 150 W during 2, 3 and 4 h. The precursors were TTIP and water vapor. TTIP is an organometallic compound composed of a central atom of Ti surrounded by 4 O atoms, which in turn are connected with chains of 3 C (propane s). The objective is the use of plasma collisions to separate the organic and inorganic phases of TTIP, so that both structure independently in a single material. The result was the formation of white titanium oxide powder composed with agglomerates of spherical particles with average diameter between 160 and 452 nm adhered to small films. The agglomerates have a tendency to change from film to particles with the energy applied to the synthesis. The study of the chemical structure showed a great presence of O{sub 2}-Ti-O{sub 2} (Ti surrounded by O) which can be found in most titanium oxides. Other chemical groups belonging to the organic phase were C=C=C, C=C=O and C{sub 2}-C-Ch appearing from the dehydrogenation of TTIP, which can be a possible precursor of this reactions kind. The structural superficial analyses showed that the atomic composition varies according to type of substrate used. The greatest content of Ti was obtained on glass substrates. However, the synthesis conditions had not evident effect in the participation of chemical states found in the inorganic phase. The crystalline studies indicated that the material is amorphous, although the de convoluted X-ray spectra showed that the synthesized titanium oxides

  17. Phosphane-Based Cyclodextrins as Mass Transfer Agents and Ligands for Aqueous Organometallic Catalysis

    Directory of Open Access Journals (Sweden)

    Eric Monflier

    2012-11-01

    Full Text Available The replacement of hazardous solvents and the utilization of catalytic processes are two key points of the green chemistry movement, so aqueous organometallic catalytic processes are of great interest in this context. Nevertheless, these processes require not only the use of water-soluble ligands such as phosphanes to solubilise the transition metals in water, but also the use of mass transfer agents to increase the solubility of organic substrates in water. In this context, phosphanes based on a cyclodextrin skeleton are an interesting alternative since these compounds can simultaneously act as mass transfer agents and as coordinating species towards transition metals. For twenty years, various cyclodextrin-functionalized phosphanes have been described in the literature. Nevertheless, while their coordinating properties towards transition metals and their catalytic properties were fully detailed, their mass transfer agent properties were much less discussed. As these mass transfer agent properties are directly linked to the availability of the cyclodextrin cavity, the aim of this review is to demonstrate that the nature of the reaction solvent and the nature of the linker between cyclodextrin and phosphorous moieties can deeply influence the recognition properties. In addition, the impact on the catalytic activity will be also discussed.

  18. CVD of SiC and AlN using cyclic organometallic precursors

    Science.gov (United States)

    Interrante, L. V.; Larkin, D. J.; Amato, C.

    1992-01-01

    The use of cyclic organometallic molecules as single-source MOCVD precursors is illustrated by means of examples taken from our recent work on AlN and SiC deposition, with particular focus on SiC. Molecules containing (AlN)3 and (SiC)2 rings as the 'core structure' were employed as the source materials for these studies. The organoaluminum amide, (Me2AlNH2)3, was used as the AlN source and has been studied in a molecular beam sampling apparatus in order to determine the gas phase species present in a hot-wall CVD reactor environment. In the case of SiC CVD, a series of disilacyclobutanes (Si(XX')CH2)2 (with X and X' = H, CH3, and CH2SiH2CH3), were examined in a cold-wall, hot-stage CVD reactor in order to compare their relative reactivities and prospective utility as single-source CVD precursors. The parent compound, disilacyclobutane, (SiH2CH2)2, was found to exhibit the lowest deposition temperature (ca. 670 C) and to yield the highest purity SiC films. This precursor gave a highly textured, polycrystalline film on the Si(100) substrates.

  19. Dissolved oxygen sensing using organometallic dyes deposited within a microfluidic environment

    Science.gov (United States)

    Chen, Q. L.; Ho, H. P.; Jin, L.; Chu, B. W.-K.; Li, M. J.; Yam, V. W.-W.

    2008-02-01

    This work primarily aims to integrate dissolved oxygen sensing capability with a microfluidic platform containing arrays of micro bio-reactors or bio-activity indicators. The measurement of oxygen concentration is of significance for a variety of bio-related applications such as cell culture and gene expression. Optical oxygen sensors based on luminescence quenching are gaining much interest in light of their low power consumption, quick response and high analyte sensitivity in comparison to similar oxygen sensing devices. In our microfluidic oxygen sensor device, a thin layer of oxygen-sensitive luminescent organometallic dye is covalently bonded to a glass slide. Micro flow channels are formed on the glass slide using patterned PDMS (Polydimethylsiloxane). Dissolved oxygen sensing is then performed by directing an optical excitation probe beam to the area of interest within the microfluidic channel. The covalent bonding approach for sensor layer formation offers many distinct advantages over the physical entrapment method including minimizing dye leaching, ensuring good stability and fabrication simplicity. Experimental results confirm the feasibility of the device.

  20. High quality long-wavelength lasers grown by atmospheric organometallic vapor phase epitaxy using tertiarybutylarsine

    International Nuclear Information System (INIS)

    Miller, B.I.; Young, M.G.; Oron, M.; Koren, U.; Kisker, D.

    1990-01-01

    High quality long-wavelength InGaAsP/InP lasers were grown by atmospheric organometallic vapor phase epitaxy using tertiarybutylarsine (TBA) as a substitute for AsH 3 . Electrical and photoluminescence measurements on InGaAs and InGaAsP showed that TBA-grown material was at least as good as AsH 3 material in terms of suitability for lasers. From two wafers grown by TBA, current thresholds I th as low as 11 mA were obtained for a 2-μm-wide semi-insulating blocking planar buried heterostructure laser lasing near 1.3 μm wavelength. The differential quantum efficiencies η D were as high as 21%/facet with a low internal loss α=21 cm -1 . In addition I th as low as 18 mA and η D as high as 18% have been obtained for multiplequantum well lasers at 1.54 μm wavelength. These results show that TBA might be used to replace AsH 3 without compromising on laser performance

  1. Chromocene in porous polystyrene: an example of organometallic chemistry in confined spaces.

    Science.gov (United States)

    Estephane, Jane; Groppo, Elena; Vitillo, Jenny G; Damin, Alessandro; Lamberti, Carlo; Bordiga, Silvia; Zecchina, Adriano

    2009-04-07

    In this work, we present an innovative approach to investigate the structure and the reactivity of a molecularly dispersed organometallic compound. The poly(4-ethylstyrene-co-divinylbenzene) microporous system (PS) is used as "solid solvent" able to molecularly disperse CrCp2, allowing: (i) its full characterization by means of spectroscopic techniques; (ii) the pressure and temperature dependent study of its interaction towards simple molecules like CO freely diffusing through the pores; (iii) the accurate determination of the reaction enthalpies by both direct microcalorimetric measurements and by an indirect spectroscopic approach. The experimental results are compared with quantum-mechanical calculations adopting the DFT approximation with two different functionals (namely BP86 and B3-LYP), showing the limitations and the potentialities of DFT methods in predicting the properties of open shell systems. It is concluded that modern DFT methods are able to give a coherent view of the vibrational properties of the CrCp2 molecule (and of the complex formed upon CO adsorption) that well match the experimental results, while the energetic predictions should be taken with care as they are significantly dependent on the functionals used.

  2. New organometallic salts as precursors for the functionalization of carbon nanotubes with metallic nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Alonso-Nunez, G., E-mail: galonso@cnyn.unam.mx; Garza, L. Morales de la; Rogel-Hernandez, E.; Reynoso, E. [Universidad Nacional Autonoma de Mexico, Centro de Nanociencias y Nanotecnologia (Mexico); Licea-Claverie, A.; Felix-Navarro, R. M. [Instituto Tecnologico de Tijuana, Centro de Graduados e Investigacion (Mexico); Berhault, G. [UMR 5256 CNRS-Universite de Lyon, Institut de Recherches sur la Catalyse et l' Environnement de Lyon (France); Paraguay-Delgado, F. [Centro de Investigacion en Materiales Avanzados S. C. (Mexico)

    2011-09-15

    New organometallic salts were synthesized in aqueous solution and were used as precursors for the functionalization of carbon nanotubes (CNT) by metallic nanoparticles. The precursors were obtained by reaction between HAuCl{sub 4}, (NH{sub 4}){sub 2}PtCl{sub 6}, (NH{sub 4}){sub 2}PdCl{sub 6}, or (NH{sub 4}){sub 3}RhCl{sub 6} with cetyltrimethylammonium bromide (CTAB). The as-obtained (CTA){sub n}Me{sub x}Cl{sub y} salts (with Me = Au, Pt, Pd, Rh) were characterized by Fourier-transform infra-red (FTIR) spectroscopy, {sup 1}H nuclear magnetic resonance (NMR) spectroscopy, and thermogravimetric analysis. These precursors were then used to synthesize metallic nanoparticles of Au, Pt, Pd, and Rh over multiwalled carbon nanotubes (MWCNT). Characterization by scanning transmission electron microscopy (STEM) and thermogravimetric analysis under air reveals that the CNT-supported catalysts exhibit high loading and good dispersion of the metallic nanoparticles with small average particle sizes. The present preparation procedure therefore allows obtaining high densities of small metallic nanoparticles at the surface of MWCNT.

  3. Organometallic Routes into the Nanorealms of Binary Fe-Si Phases

    Directory of Open Access Journals (Sweden)

    Teddy M. Keller

    2010-02-01

    Full Text Available The Fe-Si binary system provides several iron silicides that have varied and exceptional material properties with applications in the electronic industry. The well known Fe-Si binary silicides are Fe3Si, Fe5Si3, FeSi, a-FeSi2 and b-FeSi2. While the iron-rich silicides Fe3Si and Fe5Si3 are known to be room temperature ferromagnets, the stoichiometric FeSi is the only known transition metal Kondo insulator. Furthermore, Fe5Si3 has also been demonstrated to exhibit giant magnetoresistance (GMR. The silicon-rich b-FeSi2 is a direct band gap material usable in light emitting diode (LED applications. Typically, these silicides are synthesized by traditional solid-state reactions or by ion beam-induced mixing (IBM of alternating metal and silicon layers. Alternatively, the utilization of organometallic compounds with reactive transition metal (Fe-carbon bonds has opened various routes for the preparation of these silicides and the silicon-stabilized bcc- and fcc-Fe phases contained in the Fe-Si binary phase diagram. The unique interfacial interactions of carbon with the Fe and Si components have resulted in the preferential formation of nanoscale versions of these materials. This review will discuss such reactions.

  4. Organometallic synthesis of ZnO nanoparticles for gas sensing: towards selectivity through nanoparticles morphology

    Energy Technology Data Exchange (ETDEWEB)

    Ryzhikov, Andrey; Jońca, Justyna; Kahn, Myrtil; Fajerwerg, Katia [Laboratoire de Chimie de Coordination (LCC), CNRS (France); Chaudret, Bruno [Laboratoire de Physique et de Chimie de Nano-objets (LPCNO), INSA, UPS, CNRS (France); Chapelle, Audrey [Laboratoire d’Analyse et d’Architecture des Systèmes (LAAS), CNRS (France); Ménini, Philippe [Université Toulouse III, Paul Sabatier (France); Shim, Chang Hyun [Laboratoire d’Analyse et d’Architecture des Systèmes (LAAS), CNRS (France); Gaudon, Alain [Alpha M.O.S. SA (France); Fau, Pierre, E-mail: pierre.fau@lcc-toulouse.fr [Laboratoire de Chimie de Coordination (LCC), CNRS (France)

    2015-07-15

    ZnO nanoparticles (NP) with different morphologies such as nanorods (NR), isotropic NP, and cloud-like (CL) structures have been synthesized by an organometallic route. The prepared ZnO nanostructures have been deposited on miniaturized silicon gas sensor substrates by an inkjet method, and their responses to CO, C{sub 3}H{sub 8}, and NH{sub 3} gases have been studied at different operating temperatures (340–500 °C) and relative humidity of 50 %. It is noteworthy that the morphology of the nanostructure of the sensitive layer is maintained after thermal treatment. The morphology of ZnO NP significantly influences the sensor response level and their selectivity properties to reducing gases. Among the three different ZnO types, sensors prepared with NR show the highest response to both CO and C{sub 3}H{sub 8}. Sensors made of isotropic NP and CL structures show a lower but similar response to CO. From all investigated nanostructures, sensors made of CL structures show the weakest response to C{sub 3}H{sub 8}. With NH{sub 3} gas, no effect of the morphology of the ZnO sensitive layer has been evidenced. These different responses highlight the important role of the nanostructure of the ZnO sensitive layer and the nature of the target gas on the detection properties of the sensors. Graphical Abstract: Three different ZnO nanoparticles morphologies (cloud-like, dots, rods) have been employed as sensitive layers in chemoresistive sensors for the selective detection of CO, C{sub 3}H{sub 8} and NH{sub 3}.

  5. Probing the chemistry, electronic structure and redox energetics in pentavalent organometallic actinide complexes

    Energy Technology Data Exchange (ETDEWEB)

    Graves, Christopher R [Los Alamos National Laboratory; Vaughn, Anthony E [Los Alamos National Laboratory; Morris, David E [Los Alamos National Laboratory; Kiplinger, Jaqueline L [Los Alamos National Laboratory

    2008-01-01

    Complexes of the early actinides (Th-Pu) have gained considerable prominence in organometallic chemistry as they have been shown to undergo chemistries not observed with their transition- or lanthanide metal counterparts. Further, while bonding in f-element complexes has historically been considered to be ionic, the issue of covalence remains a subject of debate in the area of actinide science, and studies aimed at elucidating key bonding interactions with 5f-orbitals continue to garner attention. Towards this end, our interests have focused on the role that metal oxidation state plays in the structure, reactivity and spectral properties of organouranium complexes. We report our progress in the synthesis of substituted U{sup V}-imido complexes using various routes: (1) Direct oxidation of U{sup IV}-imido complexes with copper(I) salts; (2) Salt metathesis with U{sup V}-imido halides; (3) Protonolysis and insertion of an U{sup V}-imido alkyl or aryl complex with H-N{double_bond}CPh{sub 2} or N{triple_bond}C-Ph, respectively, to form a U{sup V}-imido ketimide complex. Further, we report and compare the crystallographic, electrochemical, spectroscopic and magnetic characterization of the pentavalent uranium (C{sub 5}Me{sub 5}){sub 2}U({double_bond}N-Ar)(Y) series (Y = OTf, SPh, C{triple_bond}C-Ph, NPh{sub 2}, OPh, N{double_bond}CPh{sub 2}) to further interrogate the molecular, electronic, and magnetic structures of this new class of uranium complexes.

  6. Labeling of thymidine analog with an organometallic complex of technetium-99m for diagnostic of cancer: radiochemical and biological evaluation

    International Nuclear Information System (INIS)

    Santos, Rodrigo Luis Silva Ribeiro

    2007-01-01

    Thymidine analogs have been labeled with different radioisotopes due to their potential in monitoring the uncontrollable cell proliferation. Considering that the radioisotopes technetium-99m still keep a privileged position as a marker due to its chemical and nuclear properties, this dissertation was constituted by the developed of a new technique of labeling of thymidine analog with 99m Tc, by means of the organometallic complex. The aims of this research were: synthesis of the organometallic complex technetium-99m-carbonyl, thymidine labeling with this precursor, evaluation of stability, and radiochemical e biological evaluation with healthy and tumor-bearing animals. The preparation of the organometallic precursor, using the CO gas, was easily achieved, as well as the labeling of thymidine with this precursor, resulting itself a radiochemical pureness of ≥ 97% and ≥ 94%, respectively. Chromatography systems with good levels of trustworthiness were used, ensuring the qualification and quantification of the radiochemical samples. The result of in vitro testing of lipophilicity disclosed that the radiolabeled complex is hydrophilic, with a partition coefficient (log P) of -1.48. The precursor complex and the radiolabeled have good radiochemical stability up to 6 h in room temperature. The cysteine and histidine challenge indicated losses between 8 and 1 1 % for concentrations until 300 mM. The biodistribution assay in healthy mice revealed rapid blood clearance and low uptake by general organs with renal and hepatobiliary excretion. The tumor concentration was low with values of 0.28 and 0.18 %ID/g for lung and breast cancer, respectively. The results imply more studies in other tumor models or the modification of the structure of the organic molecule that act like ligand. (author)

  7. Organometallic Pt precursor on graphite substrate: deposition from SC CO2, reduction and morphology transformation as revealed by SFM

    International Nuclear Information System (INIS)

    Elmanovich, Igor V.; Naumkin, Alexander V.; Gallyamov, Marat O.; Khokhlov, Alexei R.

    2012-01-01

    Organometallic Pt precursor was deposited on model highly oriented pyrolytic graphite substrate from solutions in supercritical carbon dioxide. Morphology transformations during reduction process including real-time observations were studied by scanning force microscopy (SFM). We confirmed that SC CO 2 is a promising mediator in deposition process even for rather hydrophobic supports. SFM data show that thermal decomposition of the PtMe 2 (COD) precursor with subsequent hydrogen post-treatment allows one to obtain rather pure and well-defined Pt nanoparticles with average height above a substrate level of 4.5 ± 0.6 nm.

  8. Micro-sized organometallic compound of ferrocene as high-performance anode material for advanced lithium-ion batteries

    Science.gov (United States)

    Liu, Zhen; Feng, Li; Su, Xiaoru; Qin, Chenyang; Zhao, Kun; Hu, Fang; Zhou, Mingjiong; Xia, Yongyao

    2018-01-01

    An organometallic compound of ferrocene is first investigated as a promising anode for lithium-ion batteries. The electrochemical properties of ferrocene are conducted by galvanostatic charge and discharge. The ferrocene anode exhibits a high reversible capacity and great cycling stability, as well as superior rate capability. The electrochemical reaction of ferrocene is semi-reversible and some metallic Fe remains in the electrode even after delithiation. The metallic Fe formed in electrode and the stable solid electrolyte interphase should be responsible for its excellent electrochemical performance.

  9. Studies in group IV organometallic chemistry XXX. Synthesis of compounds containing tin---titanium and tin---zirconium bonds

    NARCIS (Netherlands)

    Creemers, H.M.J.C.; Verbeek, F.; Noltes, J.G.

    1968-01-01

    Starting from the tetrakis(diethylamino) derivatives of titanium and zirconium and pheyltin hydrides six intermetalic compounds contianing up to nine tin and titanium(or zirconium) atoms have been obtained by hydrostannolysis type reactions.

  10. Synthesis and labelling of organo-metallic prosthetic groups used for indirect radioiodination of peptides and proteins

    International Nuclear Information System (INIS)

    Pozzi, Oscar R.; Castiglia, Silvia G.

    1999-01-01

    In the framework of an IAEA co-ordinated research programme the prosthetic compound ATE [N-succidinimil 3-(tri-n-butylstannyl) benzoate] has been synthesized and it has been labelled with 131 I and 125 I. Its structure has been confirmed by NMR and mass spectrometry. The labelled ATE has been conjugated with human immunoglobulin G with a yield of 41%-57%. Indirect radioiodination of peptides is currently prepared. (author)

  11. Organometallic approach to polymer-protected antibacterial silver nanoparticles: optimal nanoparticle size-selection for bacteria interaction

    Energy Technology Data Exchange (ETDEWEB)

    Crespo, Julian; Garcia-Barrasa, Jorge; Lopez-de-Luzuriaga, Jose M.; Monge, Miguel, E-mail: miguel.monge@unirioja.es; Olmos, M. Elena [Universidad de La Rioja, Centro de Investigacion en Sintesis Quimica (CISQ), Departamento de Quimica (Spain); Saenz, Yolanda; Torres, Carmen [Centro de Investigacion Biomedica de La Rioja, Area de Microbiologia Molecular (Spain)

    2012-12-15

    The optimal size-specific affinity of silver nanoparticles (Ag NPs) towards E. coli bacteria has been studied. For this purpose, Ag NPs coated with polyvinylpyrrolidone (PVP) and cellulose acetate (CA) have been prepared using an organometallic approach. The complex NBu{sub 4}[Ag(C{sub 6}F{sub 5}){sub 2}] has been treated with AgClO{sub 4} in a 1:1 molar ratio giving rise to the nanoparticle precursor [Ag(C{sub 6}F{sub 5})] in solution. Addition of an excess of PVP (1) or CA (2) and 5 h of reflux in tetrahydrofuran (THF) at 66 Degree-Sign C leads to Ag NPs of small size (4.8 {+-} 3.0 nm for PVP-Ag NPs and 3.0 {+-} 1.2 nm for CA-Ag NPs) that coexist in both cases with larger nanoparticles between 7 and 25 nm. Both nanomaterials display a high antibacterial effectiveness against E. coli. The TEM analysis of the nanoparticle-bacterial cell membrane interaction shows an optimal size-specific affinity for PVP-Ag NPs of 5.4 {+-} 0.7 nm in the presence of larger size silver nanoparticles.Graphical AbstractAn organometallic approach permits the synthesis of small size silver nanoparticles (ca 5 nm) as a main population in the presence of larger size nanoparticles. Optimal silver nanoparticle size-selection (5.4 nm) for the interaction with the bacterial membrane is achieved.

  12. Heteroepitaxy of zinc-blende SiC nano-dots on Si substrate by organometallic ion beam

    International Nuclear Information System (INIS)

    Matsumoto, T.; Kiuchi, M.; Sugimoto, S.; Goto, S.

    2006-01-01

    The self-assembled SiC nano-dots were fabricated on Si(111) substrate at low-temperatures using the organometallic ion beam deposition technique. The single precursor of methylsilicenium ions (SiCH 3 + ) with the energy of 100 eV was deposited on Si(111) substrate at 500, 550 and 600 deg. C. The characteristics of the self-assembled SiC nano-dots were analyzed by reflection high-energy electron diffraction (RHEED), Raman spectroscopy and atomic force microscope (AFM). The RHEED patterns showed that the crystal structure of the SiC nano-dots formed on Si(111) substrate was zinc-blende SiC (3C-SiC) and it was heteroepitaxy. The self-assembled SiC nano-dots were like a dome in shape, and their sizes were the length of 200-300 nm and the height of 10-15 nm. Despite the low-temperature of 500 deg. C as SiC crystallization the heteroepitaxial SiC nano-dots were fabricated on Si(111) substrate using the organometallic ion beam

  13. Distribution of PCDD/Fs and organometallic compounds in sewage sludge of wastewater treatment plants in China

    International Nuclear Information System (INIS)

    Lu Mang; Wu Xuejiao; Zeng Decai; Liao Yong

    2012-01-01

    Polychlorinated dibenzo-p-dioxins and dibenzofurans (PCDD/Fs), organotin and organolead compounds were measured in sewage sludge samples collected from 24 wastewater treatment plants from 18 cities of 13 provinces in China. Total international toxicity equivalent (I-TEQ) values were evaluated for PCDD/Fs. The total concentration of PCDD/Fs ranged from 104.0 to 1661 pg/g dry weight (d.w.) and 2.51–75.21 pg I-TEQ/g d.w., indicating that all I-TEQs were below Chinese legislation limit value regulated for land application. The concentrations ranged from 258 to 3886, 126 to 1129, and 84–2133 ng/g as Sn d.w., for tributyltin (TBT), dibutyltin (DBT), and diphenyltin (DPhT), respectively. On the other side, organolead concentrations ranged from 85 to 668 with an average of 279 ng/g as lead. High concentrations of organolead compounds in sewage sludge indicated that the environmental impact of organolead compounds remains in China. - Highlights: ► The first study on PCDD/F distribution in sewage sludge in China on a national scale. ► The first study on organometallic compounds distribution in sewage sludge on a national scale. ► The persistence of tetraethyllead deserves attention. - This is the first study on the survey of the distributions of POPs and organometallic compounds in sewage sludge in China on a national scale.

  14. Electroluminescence Properties of IrQ(ppy)2 Dual-Emitter Organometallic Compound in Organic Light-Emitting Devices

    Science.gov (United States)

    Ciobotaru, Constantin Claudiu; Polosan, Silviu; Ciobotaru, Iulia Corina

    2018-02-01

    This paper reports the influence of the charge carrier mobility on the electroluminescent properties of a dual-emitter organometallic compound dispersed in two conjugated organic small-molecule host materials and embedded in organic light-emitting devices (OLEDs). The electroluminescent processes in OLEDs are strongly influenced by the host-guest interaction. The charge carrier mobility in the host material plays an important role in the electroluminescent processes but also depends on the triplet-triplet interaction with the organometallic compound. The low charge carrier mobility in 4,4'-bis( N-carbazolyl)-1,1'-biphenyl (CBP) host material reduces the electroluminescent processes, but they are slightly enhanced by the triplet-triplet exothermic charge transfer. The higher charge carrier mobility in the case of N, N'-bis(3-methylphenyl)- N, N'-diphenylbenzidine (TPD) host material influences the electroluminescent processes by the endothermic energy transfer at room temperature, which facilitates the triplet-triplet harvesting in the host-guest system. The excitation is transferred to the guest molecules by triplet-triplet interaction as a Dexter transfer, which occurs by endothermic transfer from the triplet exciton in the host to the triplet exciton in the guest.

  15. Formyl-ended heterobifunctional poly(ethylene oxide): synthesis of poly(ethylene oxide) with a formyl group at one end and a hydroxyl group at the other end.

    Science.gov (United States)

    Nagasaki, Y; Kutsuna, T; Iijima, M; Kato, M; Kataoka, K; Kitano, S; Kadoma, Y

    1995-01-01

    Well-defined poly(ethylene oxide) (PEO) with a formyl group at one end and a hydroxyl group at the other terminus was synthesized by the anionic ring opening polymerization of ethylene oxide (EO) with a new organometallic initiator possessing an acetal moiety, potassium 3,3-diethoxypropyl alkoxide. Hydrolysis of the acetal moiety produced a formyl group-terminated heterobifunctional PEO with a hydroxyl group at the other end.

  16. Protective Actions of 17β-Estradiol and Progesterone on Oxidative Neuronal Injury Induced by Organometallic Compounds

    Directory of Open Access Journals (Sweden)

    Yasuhiro Ishihara

    2015-01-01

    Full Text Available Steroid hormones synthesized in and secreted from peripheral endocrine glands pass through the blood-brain barrier and play a role in the central nervous system. In addition, the brain possesses an inherent endocrine system and synthesizes steroid hormones known as neurosteroids. Increasing evidence shows that neuroactive steroids protect the central nervous system from various harmful stimuli. Reports show that the neuroprotective actions of steroid hormones attenuate oxidative stress. In this review, we summarize the antioxidative effects of neuroactive steroids, especially 17β-estradiol and progesterone, on neuronal injury in the central nervous system under various pathological conditions, and then describe our recent findings concerning the neuroprotective actions of 17β-estradiol and progesterone on oxidative neuronal injury induced by organometallic compounds, tributyltin, and methylmercury.

  17. Size distribution of silver nanoclusters induced by ion, electron, laser beams and thermal treatments of an organometallic precursor

    International Nuclear Information System (INIS)

    D'Urso, L.; Nicolosi, V.; Compagnini, G.; Puglisi, O.

    2004-01-01

    Recently, a huge variety of physical and chemical synthetic processes have been reported to prepare nanostructured materials made of very small (diameter<50 nm) metallic clusters. Depending on the nature of clusters, this new kind of materials posses interesting properties (electronic, optical, magnetic, catalytic) that can be tailored as a function of the particles size and shape. Silver nanoparticles have been obtained by direct thermal treatment or by beam-enhanced decomposition (ion, electron and laser) of a silver organometallic compound (precursor) spinned onto suitable substrates. In this paper, we present the results of a study on the size distribution of such nanoparticles as a function of the different synthesis methods. It was found that the methods employed strongly affect the silver nanoparticles formation. Smaller silver nanoclusters were obtained after reduction by ion beam irradiation and thermal treatment, as observed by using different techniques (AFM, XRD and UV-Vis)

  18. Integrated rotating-compensator polarimeter for real-time measurements and analysis of organometallic chemical vapor deposition

    Energy Technology Data Exchange (ETDEWEB)

    Flock, K.; Kim, S.-J.; Asar, M.; Kim, I.K.; Aspnes, D.E

    2004-05-01

    We describe a single-beam rotating-compensator rotating-sample spectroscopic polarimeter (RCSSP) integrated with an organometallic chemical vapor deposition (OMCVD) reactor for in-situ diagnostics and control of epitaxial growth, and report representative results. The rotating compensator generates Fourier coefficients that provide information about layer thicknesses and compositions, while sample rotation provides information about optical anisotropy and therefore surface chemistry. We illustrate capabilities with various examples, including the simultaneous determination of <{epsilon}> and {alpha}{sub 10} during exposure of (001)GaAs to TMG, the heteroepitaxial growth of GaP on GaAs, and the growth of (001)GaSb with TMG and TMSb. Using a recently developed approach for quantitatively determining thickness and dielectric function of depositing layers, we find the presence of metallic Ga on TMG-exposed (001)GaAs. The (001)GaSb data show that Sb deposition is self-limiting, in contrast to expectations.

  19. Well-Defined Molybdenum Oxo Alkyl Complex Supported on Silica by Surface Organometallic Chemistry: A Highly Active Olefin Metathesis Precatalyst

    KAUST Repository

    Merle, Nicolas; Le Qué mé ner, Fré dé ric; Bouhoute, Yassine; Szeto, Kai C.; De Mallmann, Aimery; Barman, Samir; Samantaray, Manoja; Delevoye, Laurent; Gauvin, Ré gis M.; Taoufik, Mostafa; Basset, Jean-Marie

    2016-01-01

    The well-defined silica-supported molybdenum oxo alkyl species (SiO−)MoO(CH Bu) was selectively prepared by grafting of MoO(CH Bu)Cl onto partially dehydroxylated silica (silica) using the surface organometallic chemistry approach. This surface species was fully characterized by elemental analysis and DRIFT, solid-state NMR, and EXAFS spectroscopy. This new material is related to the active species of industrial supported MoO/SiO olefin metathesis catalysts. It displays very high activity in propene self-metathesis at mild (turnover number = 90 000 after 25 h). Remarkably, its catalytic performance outpaces those of the parent imido derivative and its tungsten oxo analogue.

  20. Well-Defined Molybdenum Oxo Alkyl Complex Supported on Silica by Surface Organometallic Chemistry: A Highly Active Olefin Metathesis Precatalyst

    KAUST Repository

    Merle, Nicolas

    2016-12-05

    The well-defined silica-supported molybdenum oxo alkyl species (SiO−)MoO(CH Bu) was selectively prepared by grafting of MoO(CH Bu)Cl onto partially dehydroxylated silica (silica) using the surface organometallic chemistry approach. This surface species was fully characterized by elemental analysis and DRIFT, solid-state NMR, and EXAFS spectroscopy. This new material is related to the active species of industrial supported MoO/SiO olefin metathesis catalysts. It displays very high activity in propene self-metathesis at mild (turnover number = 90 000 after 25 h). Remarkably, its catalytic performance outpaces those of the parent imido derivative and its tungsten oxo analogue.

  1. Synthesis of group 10 metal complexes with a new unsymmetrical PN3P-pincer ligand through ligand post-modification: Structure and reactivity

    KAUST Repository

    Wang, Xiufang

    2017-01-01

    A post-modification strategy are used to synthesize a new class of diimine-amido PN3P-pincer group-10 transition metal complexes. The coordination chemistry and the thermal stabilities of their organometallic derivatives are characterized and investigated.

  2. Investigation of Spectral Characteristics of Pulsed Xenon Lamps for Combined Photochemical Degradation of Organometallic Compounds in Liquid Radioactive Waste

    Directory of Open Access Journals (Sweden)

    M. A. Mishakov

    2017-01-01

    Full Text Available The paper considers the composition of liquid radioactive wastes from the nuclear plants. Using traditional ways to extract organometallic compounds formed, when using the deactivation solutions to clean the surfaces of nuclear plant rooms, are complicated. The paper studies the edge-cutting methods of solving this problem. Its proposal is to use a combined ultraviolet treatment for organometallic compounds degradation based on ethylenediaminetetraacetic acid (EDTA via pulsed xenon lamps. A potential use of the tubular and spherical geometry lamps is examined and advantages, disadvantages and features of these lamps are described. Instead of the pure EDTA the experiments used its disodium salt (Na2-EDTA. The hydrogen peroxide was used as an extra oxidizer. Absorption spectrums of solutions with various Na2-EDTA - hydrogen peroxide ratio were measured. It is found that the absorbance curve maximum is in the shortwave spectrum region (λ < 210 nm. The use of amalgam lamps of monochromatic radiation at wavelength λ = 254 nm will result only in formation of hydroxyl radicals but direct destruction processes of EDTA molecules due to radiation will be rare, and this decreases efficiency of their use.The spectral radiation characteristics of various continuum spectrum pulsed xenon lamps was measured. The experimental data expressed in relative units were compared with the emission spectrum of an absolutely black body. The paper shows that in spherical lamps high brightness temperature can be reached. Thus, in spherical lamps it is possible to obtain a spectrum, which is in maximum correlation with the absorption spectrum of the solutions under study, thereby making them a prospective radiation source for photo-degradation of EDTA compounds. For drawing a final conclusion it is necessary to conduct researches in order to compare Na2-EDTA degradation via tubular and spherical xenon lamps.

  3. DFT and time-resolved IR investigation of electron transfer between photogenerated 17- and 19-electron organometallic radicals

    Energy Technology Data Exchange (ETDEWEB)

    Cahoon, James B.; Kling, Matthias F.; Sawyer, Karma R.; Andersen, Lars K.; Harris, Charles B.

    2008-04-30

    The photochemical disproportionation mechanism of [CpW(CO){sub 3}]{sub 2} in the presence of Lewis bases PR{sub 3} was investigated on the nano- and microsecond time-scales with Step-Scan FTIR time-resolved infrared spectroscopy. 532 nm laser excitation was used to homolytically cleave the W-W bond, forming the 17-electron radicals CpW(CO){sub 3} and initiating the reaction. With the Lewis base PPh{sub 3}, disproportionation to form the ionic products CpW(CO){sub 3}PPh{sub 3}{sup +} and CpW(CO){sub 3}{sup -} was directly monitored on the microsecond time-scale. Detailed examination of the kinetics and concentration dependence of this reaction indicates that disproportionation proceeds by electron transfer from the 19-electron species CpW(CO){sub 3}PPh{sub 3} to the 17-electron species CpW(CO){sub 3}. This result is contrary to the currently accepted disproportionation mechanism which predicts electron transfer from the 19-electron species to the dimer [CpW(CO){sub 3}]{sub 2}. With the Lewis base P(OMe){sub 3} on the other hand, ligand substitution to form the product [CpW(CO){sub 2}P(OMe){sub 3}]{sub 2} is the primary reaction on the microsecond time-scale. Density Functional Theory (DFT) calculations support the experimental results and suggest that the differences in the reactivity between P(OMe){sub 3} and PPh{sub 3} are due to steric effects. The results indicate that radical-to-radical electron transfer is a previously unknown but important process for the formation of ionic products with the organometallic dimer [CpW(CO){sub 3}]{sub 2} and may also be applicable to the entire class of organometallic dimers containing a single metal-metal bond.

  4. Spectroscopic studies of organometallic compounds on single crystal metal surfaces: Surface acetylides of silver (110)

    Science.gov (United States)

    Madix, Robert J.

    The nature of compounds formed by the reaction of organic molecules with metal surfaces can be studied with a battery of analytical methods based on both physicals and chemical understanding. In this paper the application of UPS, XPS, LEED and EELS as well as temperature programmed reaction spectroscopy (TPRS) and chemical titration methods to the characterization of surface complexes is discussed. Particular emphasis is given to the reaction of acetylene with a single crystal surface of silver, Ag(110). Previous work has shown that this surface, when clean, is unreactive to hydrocarbons, alcohols and carboxylic acids under ultra high vacuum conditions. Preadsorption of oxygen, however, renders the surface reactive, and a wide variety of organometallic surface compounds can be formed. As expected then, no stable adsorption state and no reaction was observed with clean Ag(110) following room temperature exposure to acetylene. Following exposure at 150 K, however, a weekly bound chemisorption state was observed to desorb at 195 K, indicating a binding energy to the surface of approximately 12 kcal/gmole. Reaction with preadsorbed oxygen gave water formulation upon dosing and produced surface intermediates which yeilded two acetylene desorption states at 195 and 175 K. Heating above 300 K to completely desorb the higher temperature state produced new, well-defined LEED Features due to residual surface carbon which disappeared when the surface was heated above 550 K. Clearly, there were distinc changes in the nature of the absorbed layer at 195, 300 and 550 K. These changes were reflected in XPS. For the weakly chemisorbed acetylene a large C(ls) peak at 285.6 eV with a small, broad, indistinc shoulder at higher binding energy (288.2) was observed. The spectrum of the species following acetylene desorption at 275 K, however, showed the formulation of a large C(ls) peak at 283.6 eV in addition to peaks characteristics of the weakly chemisorbed state. This result

  5. Phase Transition Enthalpy Measurements of Organic and Organometallic Compounds. Sublimation, Vaporization and Fusion Enthalpies From 1880 to 2015. Part 1. C1 - C10

    Science.gov (United States)

    Acree, William; Chickos, James S.

    2016-09-01

    A compendium of phase change enthalpies published in 2010 is updated to include the period 1880-2015. Phase change enthalpies including fusion, vaporization, and sublimation enthalpies are included for organic, organometallic, and a few inorganic compounds. Part 1 of this compendium includes organic compounds from C1 to C10. Part 2 of this compendium, to be published separately, will include organic and organometallic compounds from C11 to C192. Sufficient data are presently available to permit thermodynamic cycles to be constructed as an independent means of evaluating the reliability of the data. Temperature adjustments of phase change enthalpies from the temperature of measurement to the standard reference temperature, T = 298.15 K, and a protocol for doing so are briefly discussed.

  6. Synthesis and X-ray crystal structure of a novel organometallic (µ(3)-oxido)(µ(3)-imido) trinuclear iridium complex

    DEFF Research Database (Denmark)

    Schau-Magnussen, Magnus; Malcho, Phillip; Herbst, Konrad

    2011-01-01

    Reaction of the organometallic aqua ion [Cp*Ir(H(2)O)(3)](2+) with tert-butyl(trimethylsilyl)amine in acetone yielded a novel trinuclear (µ(3)-oxido)(µ(3)-imido)pentamethylcyclopentadienyliridium(iii) complex, [(Cp*Ir)(3)(O)(N(t)Bu)](2+). Single crystal structure analyses show the complex can be ...... that a trinuclear (µ(3)-oxido)(µ(3)-imido) transition metal complex has been structurally characterized....

  7. Organometallic Gold(III) Complexes Similar to Tetrahydroisoquinoline Induce ER-Stress-Mediated Apoptosis and Pro-Death Autophagy in A549 Cancer Cells.

    Science.gov (United States)

    Huang, Ke-Bin; Wang, Feng-Yang; Tang, Xiao-Ming; Feng, Hai-Wen; Chen, Zhen-Feng; Liu, Yan-Cheng; Liu, You-Nian; Liang, Hong

    2018-04-26

    Agents inducing both apoptosis and autophagic death can be effective chemotherapeutic drugs. In our present work, we synthesized two organometallic gold(III) complexes harboring C^N ligands that structurally resemble tetrahydroisoquinoline (THIQ): Cyc-Au-1 (AuL 1 Cl 2 , L 1 = 3,4-dimethoxyphenethylamine) and Cyc-Au-2 (AuL 2 Cl 2 , L 2 = methylenedioxyphenethylamine). In screening their in vitro activity, we found both gold complexes exhibited lower toxicity, lower resistance factors, and better anticancer activity than those of cisplatin. The organometallic gold(III) complexes accumulate in mitochondria and induce elevated ROS and an ER stress response through mitochondrial dysfunction. These effects ultimately result in simultaneous apoptosis and autophagy. Importantly, compared to cisplatin, Cyc-Au-2 exhibits lower toxicity and better anticancer activity in a murine tumor model. To the best of our knowledge, Cyc-Au-2 is the first organometallic Au(III) compound that induces apoptosis and autophagic death. On the basis of our results, we believe Cyc-Au-2 to be a promising anticancer agent or lead compound for further anticancer drug development.

  8. Synthesis and thermal behavior of new organometallic poly ketones and co-poly ketones based on diferrocenylidene piperidone

    International Nuclear Information System (INIS)

    Aly, K.I.

    2005-01-01

    A new interesting category of organometallic poly ketones and copolyketones were synthesized via Friedel - Crafts reaction through the polymerization of 2,6-[Bis (2-ferrocenyl )methylene] N-methylpiperidone (II) with different diacid chlorides. The model compound was synthesized by reacting the monomer (II) with benzoyl chloride and characterized by HNMR, IR and elemental analyses. The poly ketones and copolyketones were insoluble in most organic solvents but soluble easily in protic solvents. The thermal properties of these poly ketones and copolyketones were evaluated and correlated to their structural units by TGA and DSC measurements, and had inherent viscosity 0.34-0.52 dl g-1. Moreover, the electrical conductivity of one of the poly ketones, as selected example, Va and copolyketone VI were investigated above the temperature range (300-500 K) and showed that it followed an Arrhenius equation with activation energy 2.09 eV, also the morphological properties of selected examples of poly-and copolyketones were detected by SEM

  9. Iron selenide films by aerosol assisted chemical vapor deposition from single source organometallic precursor in the presence of surfactants

    Energy Technology Data Exchange (ETDEWEB)

    Hussain, Raja Azadar [Department of Chemistry, Quaid-i-Azam University, 45320 Islamabad (Pakistan); Badshah, Amin, E-mail: aminbadshah@yahoo.com [Department of Chemistry, Quaid-i-Azam University, 45320 Islamabad (Pakistan); Younis, Adnan [School of Materials Science and Engineering, University of New South Wales, Sydney 2052, NSW (Australia); Khan, Malik Dilshad [Department of Chemistry, Quaid-i-Azam University, 45320 Islamabad (Pakistan); Akhtar, Javeed [Department of Physics, COMSATS Institute of Information Technology, Park Road, Chak Shahzad, Islamabad (Pakistan)

    2014-09-30

    This article presents the synthesis and characterization (multinuclear nuclear magnetic resonance, Fourier transform infrared spectroscopy, carbon–hydrogen–nitrogen–sulfur analyzer, atomic absorption spectrometry and thermogravimetric analysis) of a single source organometallic precursor namely 1-acetyl-3-(4-ferrocenylphenyl)selenourea for the fabrication of iron selenide (FeSe) films on glass substrates using aerosol assisted chemical vapor deposition (AACVD). The changes in the morphologies of the films have been monitored by the use of two different surfactants i.e. triton X-100 and tetraoctylphosphonium bromide during AACVD. The role of surfactant has been evaluated by examining the interaction of the surfactants with the precursor by using UV–vis spectroscopy and cyclic voltammetry. The fabricated FeSe films have been characterized with powder X-ray diffraction, scanning electron microscopy and energy dispersive spectroscopy. - Highlights: • Ferrocene incorporated selenourea (FIS) has been synthesized and characterized. • FeSe thin films have been fabricated from FIS. • Mechanism of film growth was studied with cyclic voltammetry and UV–vis spectroscopy.

  10. Growth and physicochemical properties of organometallic (DL)-trithioureatartrato-O1,O2,O3-cadmium(II) single crystals

    Science.gov (United States)

    Sathyamoorthy, K.; Vinothkumar, P.; Irshad Ahamed, J.; Murali Manohar, P.; Priya, M.; Liu, Jinghe

    2018-04-01

    Single crystals of organometallic (DL)-trithioureatartrato-O1,O2,O3-cadmium(II) (TUDLC) have been grown from methanol solution by using the slow evaporation of solvent growth technique. The lattice structure and crystalline perfection have been determined by carrying out single crystal X-ray diffraction and high resolution X-ray diffraction measurements. The grown crystal was characterized thermally and mechanically by carrying out thermo-gravimetric and micro hardness measurements. The linear and nonlinear optical characterizations were made by carrying out optical transmittance, surface laser damage threshold, particle size-dependent second harmonic generation (SHG) efficiency and photo conductivity measurements. The grown crystal was electrically characterized by carrying out frequency-dependent dielectric measurements. Chemical etching study was also carried out and the dislocation density was estimated. Results obtained in the present study indicate that the grown TUDLC crystal is optically transparent with lower cut-off wavelength 304 nm, mechanically soft, thermally stable up to 101 °C and NLO active with SHG efficiency 2.13 (in KDP unit). The grown crystal is found to have considerably large size, good crystalline perfection, large specific heat capacity, higher surface laser damage threshold and negative photoconductivity.

  11. Application of imaging spectroscopic reflectometry for characterization of gold reduction from organometallic compound by means of plasma jet technology

    Energy Technology Data Exchange (ETDEWEB)

    Vodák, Jiří, E-mail: jiri.vodak@yahoo.com [Institute of Physical Engineering, Faculty of Mechanical Engineering, Brno University of Technology, Technická 2, 616 69 Brno (Czech Republic); Nečas, David [RG Plasma Technologies, CEITEC Masaryk University, Kamenice 5, 625 00 Brno (Czech Republic); Pavliňák, David [Department of Physical Electronics, Masaryk University, Kotlářská 2, 611 37 Brno (Czech Republic); Macak, Jan M [Center of Materials and Nanotechnologies, Faculty of Chemical Technology, University of Pardubice, Nám. Čs. Legií 565, 530 02 Pardubice (Czech Republic); Řičica, Tomáš; Jambor, Roman [Department of General and Inorganic Chemistry, Faculty of Chemical Technology, University of Pardubice, Studentská 573, 532 10 Pardubice (Czech Republic); Ohlídal, Miloslav [Institute of Physical Engineering, Faculty of Mechanical Engineering, Brno University of Technology, Technická 2, 616 69 Brno (Czech Republic); Institute of Physics, Faculty of Mining and Geology, VŠB – Technical University of Ostrava (Czech Republic)

    2017-02-28

    Highlights: • Metallic gold is reduced from an organometallic compound layer using a plasma jet. • Imaging spectroscopic reflectometry is used to locate areas with metallic gold. • The results are completed with XPS and optical microscopy observations. - Abstract: This work presents a new application of imaging spectroscopic reflectometry to determine a distribution of metallic gold in a layer of an organogold precursor which was treated by a plasma jet. Gold layers were prepared by spin coating from a solution of the precursor containing a small amount of polyvinylpyrrolidone on a microscopy glass, then they were vacuum dried. A difference between reflectivity of metallic gold and the precursor was utilized by imaging spectroscopic reflectometry to create a map of metallic gold distribution using a newly developed model of the studied sample. The basic principle of the imaging spectroscopic reflectometry is also shown together with the data acquisition principles. XPS measurements and microscopy observations were made to complete the imaging spectroscopic reflectometry results. It is proved that the imaging spectroscopic reflectometry represents a new method for quantitative evaluation of local reduction of metallic components from metaloorganic compounds.

  12. Growth and optical characteristics of Tm-doped AlGaN layer grown by organometallic vapor phase epitaxy

    Science.gov (United States)

    Takatsu, J.; Fuji, R.; Tatebayashi, J.; Timmerman, D.; Lesage, A.; Gregorkiewicz, T.; Fujiwara, Y.

    2018-04-01

    We report on the growth and optical properties of Tm-doped AlGaN layers by organometallic vapor phase epitaxy (OMVPE). The morphological and optical properties of Tm-doped GaN (GaN:Tm) and Tm-doped AlGaN (AlGaN:Tm) were investigated by Nomarski differential interference contrast microscopy and photoluminescence (PL) characterization. Nomarski images reveal an increase of surface roughness upon doping Tm into both GaN and AlGaN layers. The PL characterization of GaN:Tm shows emission in the near-infrared range originating from intra-4f shell transitions of Tm3+ ions. In contrast, AlGaN:Tm also exhibits blue light emission from Tm3+ ions. In that case, the wider band gap of the AlGaN host allows energy transfer to higher states of the Tm3+ ions. With time-resolved PL measurements, we could distinguish three types of luminescent sites of Tm3+ in the AlGaN:Tm layer, having different decay times. Our results confirm that Tm ions can be doped into GaN and AlGaN by OMVPE, and show potential for the fabrication of novel high-color-purity blue light emitting diodes.

  13. New Concept of C–H and C–C Bond Activation via Surface Organometallic Chemistry

    KAUST Repository

    Samantaray, Manoja; Dey, Raju; Kavitake, Santosh Giridhar; Basset, Jean-Marie

    2015-01-01

    In this chapter we describe the recent applications of well-defined oxidesupported metal alkyls/alkylidenes/alkylidynes and hydrides of group IV, V, and VI transition metals in the field of C–H and C–C bond activation. The activation of ubiquitous C

  14. Iron-Mediated Homogeneous ICAR ATRP of Methyl Methacrylate under ppm Level Organometallic Catalyst Iron(III Acetylacetonate

    Directory of Open Access Journals (Sweden)

    Jian Wu

    2016-01-01

    Full Text Available Atom Transfer Radical Polymerization (ATRP is an important polymerization process in polymer synthesis. However, a typical ATRP system has some drawbacks. For example, it needs a large amount of transition metal catalyst, and it is difficult or expensive to remove the metal catalyst residue in products. In order to reduce the amount of catalyst and considering good biocompatibility and low toxicity of the iron catalyst, in this work, we developed a homogeneous polymerization system of initiators for continuous activator regeneration ATRP (ICAR ATRP with just a ppm level of iron catalyst. Herein, we used oil-soluble iron (III acetylacetonate (Fe(acac3 as the organometallic catalyst, 1,1′-azobis (cyclohexanecarbonitrile (ACHN with longer half-life period as the thermal initiator, ethyl 2-bromophenylacetate (EBPA as the initiator, triphenylphosphine (PPh3 as the ligand, toluene as the solvent and methyl methacrylate (MMA as the model monomer. The factors related with the polymerization system, such as concentration of Fe(acac3 and ACHN and polymerization kinetics, were investigated in detail at 90 °C. It was found that a polymer with an acceptable molecular weight distribution (Mw/Mn = 1.43 at 45.9% of monomer conversion could be obtained even with 1 ppm of Fe(acac3, making it needless to remove the residual metal in the resultant polymers, which makes such an ICAR ATRP process much more industrially attractive. The “living” features of this polymerization system were further confirmed by chain-extension experiment.

  15. Understanding the electron-stimulated surface reactions of organometallic complexes to enable design of precursors for electron beam-induced deposition

    Energy Technology Data Exchange (ETDEWEB)

    Spencer, Julie A.; Rosenberg, Samantha G.; Barclay, Michael; Fairbrother, D. Howard [Johns Hopkins University, Department of Chemistry, Baltimore, MD (United States); Wu, Yung-Chien; McElwee-White, Lisa [University of Florida, Department of Chemistry, Gainesville, FL (United States)

    2014-12-15

    Standard practice in electron beam-induced deposition (EBID) is to use precursors designed for thermal processes, such as chemical vapor deposition (CVD). However, organometallic precursors that yield pure metal deposits in CVD often create EBID deposits with high levels of organic contamination. This contamination negatively impacts the deposit's properties (e.g., by increasing resistivity or decreasing catalytic activity) and severely limits the range of potential applications for metal-containing EBID nanostructures. To provide the information needed for the rational design of precursors specifically for EBID, we have employed an ultra-high vacuum (UHV) surface science approach to identify the elementary reactions of organometallic precursors during EBID. These UHV studies have demonstrated that the initial electron-induced deposition of the surface-bound organometallic precursors proceeds through desorption of one or more of the ligands present in the parent compound. In specific cases, this deposition step has been shown to proceed via dissociative electron attachment, involving low-energy secondary electrons generated by the interaction of the primary beam with the substrate. Electron beam processing of the surface-bound species produced in the initial deposition event usually causes decomposition of the residual ligands, creating nonvolatile fragments. This process is believed to be responsible for a significant fraction of the organic contaminants typically observed in EBID nanostructures. A few ligands (e.g., halogens) can, however, desorb during electron beam processing while other ligands (e.g., PF{sub 3}, CO) can thermally desorb if elevated substrate temperatures are used during deposition. Using these general guidelines for reactivity, we propose some design strategies for EBID precursors. The ultimate goal is to minimize organic contamination and thus overcome the key bottleneck for fabrication of relatively pure EBID nanostructures. (orig.)

  16. Development of new organometallic species for the labelling of radiotracers with short half-lives radioisotopes

    International Nuclear Information System (INIS)

    Huet-Dales, A.

    2003-11-01

    The reactivity of clean organotins have been studied in the Stille coupling reaction in fast conditions, witch can be used with short half-life radioisotope. In a first part, development of the reaction conditions have been studied for the transfer of a methyl group by the Stille coupling reaction, via the synthesis of the correspond mono-organotin. The reaction time was optimized onto model compounds in 12-carbon and 11-carbon chemistry. In a second part, this methodology was applied to the synthesis of NK3 receptors radioligands, in 12-carbon and 11-carbon chemistry. Biological studies showed that these ligands have a good affinity with NK3 receptors, and are potential positron emission tomography tracers. (author)

  17. Synthesis and structure determination of a stable organometallic uranium(V) imine complex and its isolobal anionic U(IV)-ate complex

    Energy Technology Data Exchange (ETDEWEB)

    Sharma, M.; Botoshanskii, M.; Eisen, M.S. [Schulich Faculty of Chemistry, and Institute of Catalysis Science and Technology, Technion Israel Institute of Technology, Haifa (Israel); Bannenberg, Th.; Tamm, M. [Institut fur Anorganische und Analytische Chemie, Technische Universitat Braunschweig (Germany)

    2010-06-15

    The reaction of one equivalent of Cp*{sub 2}UCl{sub 2} with 2-(trimethylsilyl-imino)-1,3-di-tert-butyl-imidazoline in boiling toluene afforded a one electron oxidation of the uranium metal and the opening of the N-heterocyclic ring, resulting in the formation of an organometallic uranium(V) imine complex. This complex crystallized with one molecule of toluene in the unit cell, and its solid-state structure was determined by X-ray diffraction analysis. When the same reaction was performed in perdeuterated toluene, a myriad of organometallic complexes were obtained, however, when equimolar amounts of water were used in toluene, the same complex was obtained, and its solid state characterization shows two independent molecules in the unit cell with an additional water molecule. For comparison of the geometric parameters, the corresponding isolobal anionic uranium(IV) complex [Cp*{sub 2}UCl{sub 3}]{sup -} was synthesized by the reaction of Cp*{sub 2}UCl{sub 2} with 1,3-di-tert-butyl-imidazolium chloride, and the resulting U(IV)-ate complex was characterized by X-ray diffraction analysis. (authors)

  18. Low-voltage organic field-effect transistors based on novel high-κ organometallic lanthanide complex for gate insulating materials

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Qi; Li, Yi; Zhang, Yang; Song, You, E-mail: wangxzh@nju.edu.cn, E-mail: yli@nju.edu.cn, E-mail: yousong@nju.edu.cn; Wang, Xizhang, E-mail: wangxzh@nju.edu.cn, E-mail: yli@nju.edu.cn, E-mail: yousong@nju.edu.cn; Hu, Zheng [Key Laboratory of Mesoscopic Chemistry of MOE, Jiangsu Provincial Lab for Nanotechnology, School of Chemistry and Chemical Engineering, Nanjing University, Nanjing 210093, China. High-Tech Research Institute of Nanjing University (Suzhou), Suzhou 215123 (China); Sun, Huabin; Li, Yun, E-mail: wangxzh@nju.edu.cn, E-mail: yli@nju.edu.cn, E-mail: yousong@nju.edu.cn; Shi, Yi [School of Electronic Science and Engineering and Jiangsu Provincial Key Laboratory of Photonic and Electronic Materials, Nanjing University, Nanjing 210093 (China)

    2014-08-15

    A novel high-κ organometallic lanthanide complex, Eu(tta){sub 3}L (tta=2-thenoyltrifluoroacetonate, L = 4,5-pinene bipyridine), is used as gate insulating material to fabricate low-voltage pentacene field-effect transistors (FETs). The optimized gate insulator exhibits the excellent properties such as low leakage current density, low surface roughness, and high dielectric constant. When operated under a low voltage of −5 V, the pentacene FET devices show the attractive electrical performance, e.g. carrier mobility (μ{sub FET}) of 0.17 cm{sup 2} V{sup −1} s{sup −1}, threshold voltage (V{sub th}) of −0.9 V, on/off current ratio of 5 × 10{sup 3}, and subthreshold slope (SS) of 1.0 V dec{sup −1}, which is much better than that of devices obtained on conventional 300 nm SiO{sub 2} substrate (0.13 cm{sup 2} V{sup −1} s{sup −1}, −7.3 V and 3.1 V dec{sup −1} for μ{sub FET}, V{sub th} and SS value when operated at −30 V). These results indicate that this kind of high-κ organometallic lanthanide complex becomes a promising candidate as gate insulator for low-voltage organic FETs.

  19. Low-voltage organic field-effect transistors based on novel high-κ organometallic lanthanide complex for gate insulating materials

    Directory of Open Access Journals (Sweden)

    Qi Liu

    2014-08-01

    Full Text Available A novel high-κ organometallic lanthanide complex, Eu(tta3L (tta=2-thenoyltrifluoroacetonate, L = 4,5-pinene bipyridine, is used as gate insulating material to fabricate low-voltage pentacene field-effect transistors (FETs. The optimized gate insulator exhibits the excellent properties such as low leakage current density, low surface roughness, and high dielectric constant. When operated under a low voltage of −5 V, the pentacene FET devices show the attractive electrical performance, e.g. carrier mobility (μFET of 0.17 cm2 V−1 s−1, threshold voltage (Vth of −0.9 V, on/off current ratio of 5 × 103, and subthreshold slope (SS of 1.0 V dec−1, which is much better than that of devices obtained on conventional 300 nm SiO2 substrate (0.13 cm2 V−1 s−1, −7.3 V and 3.1 V dec−1 for μFET, Vth and SS value when operated at −30 V. These results indicate that this kind of high-κ organometallic lanthanide complex becomes a promising candidate as gate insulator for low-voltage organic FETs.

  20. The processing of CdSe/Polymer nanocomposites via solution organometallic chemistry

    International Nuclear Information System (INIS)

    Khanna, P.K.; Singh, Narendra; Charan, Shobhit; Lonkar, Sunil P.; Reddy, A. Satyanarayana; Patil, Yogesh; Viswanath, A. Kasi

    2006-01-01

    This paper presents in situ preparation of CdSe nanoparticles using poly(vinyl alcohol) [PVA] and polymethylmethacrylate [PMMA] as matrices by use of organoselenium compound. Reaction of cadmium metal salt and 1,2,3-selenadiazole (the source of selenium) enabled formation of CdSe nanoparticles. Use of selenadiazole in the present work with polymer is first of its kind. The radical polymerization of methycrylate monomer with benzoyl peroxide followed by reaction of respective reagents have been successfully employed to synthesize CdSe/PMMA nanocomposite. Similarly, reaction between selenadiazole and cadmium metal salt in aq. PVA yielded polymer coated or mixed CdSe nanoparticles. The UV-vis absorption spectra showed blue shift of about 200 nm with respect to band-gap energy of bulk CdSe, due to size quantization effect in CdSe particles. An emission band was observed at 530 nm in photoluminescence spectrum (PL) of CdSe/PMMA. IR spectra indicated shifts in the values of the polymer functional group due to nanoparticles. X-ray measurement of CdSe/Polymer nano-composites showed broad pattern for cubic CdSe and particle size of CdSe was estimated to be <10 nm. TGA revealed gradual weight loss between 200 and 400 deg. C indicating increased thermal stability of the polymer

  1. Design of supported bi-metallic nanoparticles based on Platinum and Palladium using Surface Organometallic Chemistry (SOMC)

    KAUST Repository

    Al-Shareef, Reem A.

    2017-11-01

    Well-defined silica supported bimetallic catalysts Pt100-x Pdx (where x is the molar ratio of Pd) are prepared by Surface Organometallic Chemistry (SOMC) via controlled decomposition of Pd2(allyl)2Cl2 on Pt/SiO2. For comparison purposes, Pt100-x Pdx bimetallic catalysts is also prepared by ion-exchange (IE). According to the results of STEM, XAS and H2 chemisorption, all bimetallic nanoparticles, prepared using neither SOMC nor IE, produce discrete formation of monometallic species (either Pt or Pd). Most catalysts exhibit a narrow particle size distribution with an average diameter ranging from 1 to 3 nm for samples prepared by IE and from 2 to 5 nm for the ones synthesized by SOMC. For all catalysts investigated in the present work, iso-butane reaction with hydrogen under differential conditions (conversions below 5%) leads to the formation of methane and propane (hydrogenolysis), n-butane (isomerization), and traces of iso-butylene (dehydrogenation). The total rate of reaction decreases with increasing the Pd loading for both catalysts series as a result of decreasing turnover rate (expressed as moles converted per total surface metal per second) of both isomerization and hydrogenolysis. In the case of Pt100-x Pdx(SOMC) catalysts, the results suggest a selective coverage of Pt (100) surface by a Pd layer, followed by a buildup of Pd overcoat onto a Pd layer assuming that each metal keeps its intrinsic catalytic properties. There is no mutual electronic charge transfer between the two metals (DFT). For the PtPd catalysts prepared by IE, the catalytic behavior cannot simply be explained by a surface coverage of highly active Pt metal by less active Pd (not observed), suggesting there is formation of a surface alloy between Pt and Pd collaborated by EXAFS and DFT. The catalytic results are explained by a simple structure activity relationship based on the previously proposed mechanism of C-H bond and C-C Bond activation and cleavage for iso-butane hydrogenolysis

  2. Organometallic chemistry of the f-elements: toward new development: cyanide ligand of f-elements

    International Nuclear Information System (INIS)

    Herve, Alexandre

    2014-01-01

    The cyanide ligand is one of the most widely used ligands in coordination chemistry of d-transition metals. The low number of cyanide complexes of lanthanides and actinides incited us to develop this field for reactivity and theoretical aspects, and also for their potentially interesting physicochemical properties. In this Ph.D., we investigated the reactivity of [An(Cot) 2 ] (An = Th, U ; Cot = C 8 H 8 2- ) and [M f (N*) 3 ] q+ (q = 0, 1; M f = Ce, U ; N* = -N(SiMe 3 ) 2 ) precursors toward the cyanide ion. The first chapter is dedicated to the synthesis and characterization of trivalent f-elements cyanide complexes [M f (N*) 3 (CN)][M], [M f (N*) 3 (CN) 2 ][M] 2 et [M f (N*) 2 (CN) 3 ][M] 2 and the cyanido-bridged binuclear compounds [{M f (N*) 3 } 2 (μ-CN)][M] (M = NR 4 , K(18-C-6)). Crystals of the bis(cyanido) uranium and cerium complexes are not isostructural since the data revealed distinct coordination modes of the CN group, through the C or N atom to the U 3+ or Ce 3+ metal center, respectively. In chapter 2, the novel silyl-amide uranium(IV) precursor [U(N*) 3 ][BPh 4 ] has been isolated, and proved to be useful for the synthesis of the cationic species [{U(N*) 3 } 2 (μ-CN)][BPh 4 ] and the neutral monocyanide [M f (N*) 3 (CN)] and anionic bis(cyanide) [M f (N*) 3 (CN) 2 ][M] derivatives. Here again, the X-ray data reveal the uncommon N coordination mode of the CN group to the U(IV) center. This global differentiation has been analyzed using density functional theory calculations. The observed preferential coordination of the cyanide ion in Ce(III)-NC, U(III)-CN and U(IV)-NC is corroborated by energetic considerations and by the comparison of DFT optimized geometries with the true crystal structures. Finally, the recent discovery of the first bent 'uranocene' species, eg [U(Cot) 2 (CN)] - , led us to compare the reactivity of the actinocenes [An(Cot) 2 ] (Th, U) in order to understand the effect of the metal electron configuration

  3. Air-tolerant C–C bond formation via organometallic ruthenium catalysis: diverse catalytic pathways involving (C5Me5)Ru or (C5H5)Ru are robust to molecular oxygen

    Czech Academy of Sciences Publication Activity Database

    Severa, Lukáš; Vávra, Jan; Kohoutová, Anna; Čížková, Martina; Šálová, Tereza; Hývl, Jakub; Šaman, David; Pohl, Radek; Adriaenssens, Louis; Teplý, Filip

    2009-01-01

    Roč. 50, č. 31 (2009), s. 4526-4528 ISSN 0040-4039 Institutional research plan: CEZ:AV0Z40550506 Keywords : ruthenium * organometallic catalysis * [2+2+2] cycloaddition * terminal alkynes Subject RIV: CC - Organic Chemistry Impact factor: 2.660, year: 2009

  4. The use of a well-defined surface organometallic complex as a probe molecule: [(≡SiO)TaVCl2Me2] shows different isolated silanol sites on the silica surface

    KAUST Repository

    Chen, Yin

    2014-01-01

    TaVCl2Me3 reacts with silica(700) and produces two different [(≡SiO)TaVCl2Me2] surface organometallic species, suggesting a heterogeneity of the highly dehydroxylated silica surface, which was studied with a combined experimental and theoretical approach. This journal is © the Partner Organisations 2014.

  5. The use of a well-defined surface organometallic complex as a probe molecule: [(≡SiO)TaVCl2Me2] shows different isolated silanol sites on the silica surface

    KAUST Repository

    Chen, Yin; Zheng, Bin; Abou-Hamad, Edy; Hamieh, Ali Imad Ali; Hamzaoui, Bilel; Huang, Kuo-Wei; Basset, Jean-Marie

    2014-01-01

    TaVCl2Me3 reacts with silica(700) and produces two different [(≡SiO)TaVCl2Me2] surface organometallic species, suggesting a heterogeneity of the highly dehydroxylated silica surface, which was studied with a combined experimental and theoretical approach. This journal is © the Partner Organisations 2014.

  6. The ab-initio density matrix renormalization group in practice.

    Science.gov (United States)

    Olivares-Amaya, Roberto; Hu, Weifeng; Nakatani, Naoki; Sharma, Sandeep; Yang, Jun; Chan, Garnet Kin-Lic

    2015-01-21

    The ab-initio density matrix renormalization group (DMRG) is a tool that can be applied to a wide variety of interesting problems in quantum chemistry. Here, we examine the density matrix renormalization group from the vantage point of the quantum chemistry user. What kinds of problems is the DMRG well-suited to? What are the largest systems that can be treated at practical cost? What sort of accuracies can be obtained, and how do we reason about the computational difficulty in different molecules? By examining a diverse benchmark set of molecules: π-electron systems, benchmark main-group and transition metal dimers, and the Mn-oxo-salen and Fe-porphine organometallic compounds, we provide some answers to these questions, and show how the density matrix renormalization group is used in practice.

  7. The ab-initio density matrix renormalization group in practice

    Energy Technology Data Exchange (ETDEWEB)

    Olivares-Amaya, Roberto; Hu, Weifeng; Sharma, Sandeep; Yang, Jun; Chan, Garnet Kin-Lic [Department of Chemistry, Princeton University, Princeton, New Jersey 08544 (United States); Nakatani, Naoki [Department of Chemistry, Princeton University, Princeton, New Jersey 08544 (United States); Catalysis Research Center, Hokkaido University, Kita 21 Nishi 10, Sapporo, Hokkaido 001-0021 (Japan)

    2015-01-21

    The ab-initio density matrix renormalization group (DMRG) is a tool that can be applied to a wide variety of interesting problems in quantum chemistry. Here, we examine the density matrix renormalization group from the vantage point of the quantum chemistry user. What kinds of problems is the DMRG well-suited to? What are the largest systems that can be treated at practical cost? What sort of accuracies can be obtained, and how do we reason about the computational difficulty in different molecules? By examining a diverse benchmark set of molecules: π-electron systems, benchmark main-group and transition metal dimers, and the Mn-oxo-salen and Fe-porphine organometallic compounds, we provide some answers to these questions, and show how the density matrix renormalization group is used in practice.

  8. Tailored Organometallic Polymers

    Science.gov (United States)

    1993-01-31

    Webster, W. R. Herder, D. Y. Sogah, W. B. Farnham, T. V. ajan Babu, J. Am. Chem. soL • J105~. 5706-5708. [101 A. Boudin, (. Cerveau , C. Chuit, R.J. P...mngli,. 7., 237. [12] A. Boudin, G. Cerveau , C. Chuit, R. J. P. Corriu, C. Reyd, . o isj=, 7, 1165. [13] C. Brelire, R. J. P. Corriu, G. Royo, W. W. C...M.aa, J. Zwecker, Qrgg.omtaffic_ 9M 2, 2633-2635. [14] R. Tacke, J. Sperlich, C. Strohman, G. MatternU Ch 4 3.B=r 1 , 124., 1491-1496. [15] G. Cerveau

  9. Solid-state molecular organometallic chemistry. Single-crystal to single-crystal reactivity and catalysis with light hydrocarbon substrates.

    Science.gov (United States)

    Chadwick, F Mark; McKay, Alasdair I; Martinez-Martinez, Antonio J; Rees, Nicholas H; Krämer, Tobias; Macgregor, Stuart A; Weller, Andrew S

    2017-08-01

    0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 1111111111111111111111111111111111 1111111111111111111111111111111111 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 CHCD 3 , using [Rh(Cy 2 PCH 2 CH 2 PCy 2 )(η 2 η 2 -NBA)][BAr F 4 ] scrambles the D-label into all possible positions of the propene, as shown by isotopic perturbation of equilibrium measurements for the agostic interaction. Periodic DFT calculations show a low barrier to H/D exchange (10.9 kcal mol -1 , PBE-D3 level), and GIPAW chemical shift calculations guide the assignment of the experimental data. When synthesized using solution routes a bis-propene complex, [Rh(Cy 2 PCH 2 CH 2 PCy 2 )(propene) 2 ][BAr F 4 ] , is formed. [Rh(Cy 2 PCH 2 CH 2 PCy 2 )(butene)][BAr F 4 ] ( x = 1) is characterized as having 2-butene bound as the cis -isomer and a single Rh···H 3 C agostic interaction. In the solid-state two low-energy fluxional processes are proposed. The first is a simple libration of the 2-butene that exchanges the agostic interaction, and the second is a butene isomerization process that proceeds via an allyl-hydride intermediate with a low computed barrier of 14.5 kcal mol -1 . [Rh(Cy 2 PCH 2 CH 2 PCy 2 )(η 2 η 2 -NBA)][BAr F 4 ] and the polymorphs of [Rh(Cy 2 PCH 2 CH 2 PCy 2 )(ethene) 2 ][BAr F 4 ] are shown to be effective in solid-state molecular organometallic catalysis (SMOM-Cat) for the isomerization of 1-butene to a mixture of cis - and trans -2-butene at 298 K and 1 atm, and studies suggest that catalysis is likely dominated by surface-active species. [Rh(Cy 2 PCH 2 CH 2 PCy 2 )(η 2 η 2 -NBA

  10. Group IB Organometallic Chemistry XIX.Synthesis and characterization of mixed-organocopper cluster compounds R4R'2Cu6 containing aryl and acetylide ligands.

    NARCIS (Netherlands)

    Koten, G. van; Hoedt, R.W.M. ten; Noltes, J.G.

    1977-01-01

    Mixed-organocopper cluster compounds Ar4Cu6(CCR)2 (Ar = 2-Me2NC6H4, R = phenyl, 4-tolyl, 2,4-xylyl or mesityl) have been prepared in high yield by the ligand-substitution reaction of Ar4Cu6Br2 with two equivalents of LiCCR. Ar4Cu6(CCC6H4CH3-4)2 has also been prepared via the aryl¡ªarylacetylide

  11. Lattice site location of optical centers in GaN:Eu light emitting diode material grown by organometallic vapor phase epitaxy

    KAUST Repository

    Lorenz, K.; Alves, E.; Roqan, Iman S.; O’ Donnell, K. P.; Nishikawa, A.; Fujiwara, Y.; Boćkowski, M.

    2010-01-01

    Eu-doped GaN was grown by organometallic vapor phase epitaxy at temperatures from 900 to 1100 °C. Eu incorporation is influenced by temperature with the highest concentration found for growth at 1000 °C. In all samples, Eu is incorporated entirely on substitutional Ga sites with a slight displacement which is highest (∼0.2 Å) in the sample grown at 900 °C and mainly directed along the c-axis. The major optical Eu3+ centers are identical for in situdoped and ion-implanted samples after high temperature and pressure annealing. The dominant Eu3+luminescence lines are attributed to isolated, substitutional Eu.

  12. A silica-supported double-decker silsesquioxane provides a second skin for the selective generation of bipodal surface organometallic complexes

    KAUST Repository

    Espinas, Jeff

    2012-11-12

    A well-defined silica-based material with a homogeneous nanolayer presenting identical pairs of vicinal silanols has been prepared by reaction of the surface organometallic species [≡SiOZr(CH 2CMe 3) 3], obtained on a silica dehydroxylated at 900 °C, with the double-decker-shaped silsesquioxane (OH) 2DD(OH) 2. The surface structure has been established using extensive NMR characterization ( 1H, 13C, 29Si, HETCOR, double-quantum, triple-quantum). Treatment with Zr(CH 2CMe 3) 4 leads to the first well-defined single-site bipodal grafted bis-neopentyl zirconium complex. © 2012 American Chemical Society.

  13. A [4Fe-4S]-Fe(CO)(CN)-l-cysteine intermediate is the first organometallic precursor in [FeFe] hydrogenase H-cluster bioassembly

    Science.gov (United States)

    Rao, Guodong; Tao, Lizhi; Suess, Daniel L. M.; Britt, R. David

    2018-05-01

    Biosynthesis of the [FeFe] hydrogenase active site (the 'H-cluster') requires the interplay of multiple proteins and small molecules. Among them, the radical S-adenosylmethionine enzyme HydG, a tyrosine lyase, has been proposed to generate a complex that contains an Fe(CO)2(CN) moiety that is eventually incorporated into the H-cluster. Here we describe the characterization of an intermediate in the HydG reaction: a [4Fe-4S][(Cys)Fe(CO)(CN)] species, 'Complex A', in which a CO, a CN- and a cysteine (Cys) molecule bind to the unique 'dangler' Fe site of the auxiliary [5Fe-4S] cluster of HydG. The identification of this intermediate—the first organometallic precursor to the H-cluster—validates the previously hypothesized HydG reaction cycle and provides a basis for elucidating the biosynthetic origin of other moieties of the H-cluster.

  14. Lattice site location of optical centers in GaN:Eu light emitting diode material grown by organometallic vapor phase epitaxy

    KAUST Repository

    Lorenz, K.

    2010-09-16

    Eu-doped GaN was grown by organometallic vapor phase epitaxy at temperatures from 900 to 1100 °C. Eu incorporation is influenced by temperature with the highest concentration found for growth at 1000 °C. In all samples, Eu is incorporated entirely on substitutional Ga sites with a slight displacement which is highest (∼0.2 Å) in the sample grown at 900 °C and mainly directed along the c-axis. The major optical Eu3+ centers are identical for in situdoped and ion-implanted samples after high temperature and pressure annealing. The dominant Eu3+luminescence lines are attributed to isolated, substitutional Eu.

  15. A silica-supported double-decker silsesquioxane provides a second skin for the selective generation of bipodal surface organometallic complexes

    KAUST Repository

    Espinas, Jeff; Pelletier, Jeremie; Abou-Hamad, Edy; Emsley, Lyndon; Basset, Jean-Marie

    2012-01-01

    A well-defined silica-based material with a homogeneous nanolayer presenting identical pairs of vicinal silanols has been prepared by reaction of the surface organometallic species [≡SiOZr(CH 2CMe 3) 3], obtained on a silica dehydroxylated at 900 °C, with the double-decker-shaped silsesquioxane (OH) 2DD(OH) 2. The surface structure has been established using extensive NMR characterization ( 1H, 13C, 29Si, HETCOR, double-quantum, triple-quantum). Treatment with Zr(CH 2CMe 3) 4 leads to the first well-defined single-site bipodal grafted bis-neopentyl zirconium complex. © 2012 American Chemical Society.

  16. Development of novel strategy for the synthesis of organometallic compounds usable as protein ligands: application to the human cyclophilin hCyp-18

    International Nuclear Information System (INIS)

    Clavaud, C.

    2006-02-01

    This thesis describes a new strategy for the development of bioactive organometallic compounds, basing on the combinatorial assembly of sub-chemical libraries (A and B) independent but complementary and able to coordinate a metallic heart M to form A-M-B complex potential ligands of biomolecules. The coordination of metals, well adapted to the production of molecular variety is usually used in medicinal chemistry, in diagnostic and therapeutic nuclear medicine. Among the useful elements, the rhenium and the technetium are metals of choice for the development of the assembly strategy because of their chemical and radiochemical properties and of the structure analogy of their complexes. This strategy was validated in vitro. The protein chosen for this purpose was the cyclophilin hCyp-18. (N.C.)

  17. Synthesis of a sugar-organometallic compound 1,1 Prime -difurfurylferrocene and its microwave preparation of carbon/iron oxide nanocomposite

    Energy Technology Data Exchange (ETDEWEB)

    Zhao Shanyu, E-mail: syzhao65@gmail.com [School of Environmental and Safty Engineering, Changzhou University, Changzhou, Jiangsu 213164 (China); Department of Chemistry, Brown University, Providence, RI 02912-9108 (United States); Cooper, Daniel C. [Department of Chemistry, Brown University, Providence, RI 02912-9108 (United States); Xu, Haixun [Institute of Building Materials, Dalian University of Technology, Dalian, Liaoning 116024 (China); Zhu Pinghua [School of Environmental and Safty Engineering, Changzhou University, Changzhou, Jiangsu 213164 (China); Suggs, J. William, E-mail: j_suggs@brown.edu [Department of Chemistry, Brown University, Providence, RI 02912-9108 (United States)

    2013-01-01

    Graphical abstract: In order to synthesize a carbon-metal or metal oxide combination sphere, carbonaceous resource furfural was introduced, which was nucleophilic treated with 1,1 Prime -dilithioferrocene to form a sugar-organometallic compound: ferrocenyl monosaccharide derivative 1,1 Prime -difurfurylferrocene, which can be hydrothermally treated in a microwave reactor to give 300-500 nm microspheres with the {alpha}-Fe{sub 2}O{sub 3} or Fe{sub 3}O{sub 4} formed on the surface, which may be favorable for new magnetic materials preparation or instead of iron with other metal ions, versatile carbon/metal composites will be possibly synthesized for catalysis, drug delivery and magnetic uses. Highlights: Black-Right-Pointing-Pointer We synthesized 1,1 Prime -difurfurylferrocene by nucleophilic treating furfural with 1,1 Prime -dilithioferrocene. Black-Right-Pointing-Pointer 1,1 Prime -Difurfurylferrocene can be hydrothermally treated by microwave to give microspheres with iron oxides on the surface. Black-Right-Pointing-Pointer 1,1 Prime -Difurfurylferrocene has 2 reactive furanose units, which form carbonspheres and ferrocenyl can give iron oxides. Black-Right-Pointing-Pointer REDOX atmosphere influences the coating structures. - Abstract: In order to synthesize a carbon-metal or metal oxide combination sphere, carbonaceous resource furfural 1 was introduced, which was nucleophilic treated with 1,1 Prime -dilithioferrocene 2 to form a sugar-organometallic compound: ferrocenyl monosaccharide derivative 1,1 Prime -difurfurylferrocene 3. 1,1 Prime -Difurfurylferrocene 3 can be hydrothermally treated in a microwave reactor to give 300-500 nm microspheres with the {alpha}-Fe{sub 2}O{sub 3} or Fe{sub 3}O{sub 4} nanocrystals formed on the surface, which may be favorable for new magnetic materials preparation or instead of iron with other metal ions, versatile carbon/metal composites will be possibly synthesized for catalysis, drug delivery and magnetic uses.

  18. Synthesis of a sugar-organometallic compound 1,1′-difurfurylferrocene and its microwave preparation of carbon/iron oxide nanocomposite

    International Nuclear Information System (INIS)

    Zhao Shanyu; Cooper, Daniel C.; Xu, Haixun; Zhu Pinghua; Suggs, J. William

    2013-01-01

    Graphical abstract: In order to synthesize a carbon–metal or metal oxide combination sphere, carbonaceous resource furfural was introduced, which was nucleophilic treated with 1,1′-dilithioferrocene to form a sugar-organometallic compound: ferrocenyl monosaccharide derivative 1,1′-difurfurylferrocene, which can be hydrothermally treated in a microwave reactor to give 300–500 nm microspheres with the α-Fe 2 O 3 or Fe 3 O 4 formed on the surface, which may be favorable for new magnetic materials preparation or instead of iron with other metal ions, versatile carbon/metal composites will be possibly synthesized for catalysis, drug delivery and magnetic uses. Highlights: ► We synthesized 1,1′-difurfurylferrocene by nucleophilic treating furfural with 1,1′-dilithioferrocene. ► 1,1′-Difurfurylferrocene can be hydrothermally treated by microwave to give microspheres with iron oxides on the surface. ► 1,1′-Difurfurylferrocene has 2 reactive furanose units, which form carbonspheres and ferrocenyl can give iron oxides. ► REDOX atmosphere influences the coating structures. - Abstract: In order to synthesize a carbon–metal or metal oxide combination sphere, carbonaceous resource furfural 1 was introduced, which was nucleophilic treated with 1,1′-dilithioferrocene 2 to form a sugar-organometallic compound: ferrocenyl monosaccharide derivative 1,1′-difurfurylferrocene 3. 1,1′-Difurfurylferrocene 3 can be hydrothermally treated in a microwave reactor to give 300–500 nm microspheres with the α-Fe 2 O 3 or Fe 3 O 4 nanocrystals formed on the surface, which may be favorable for new magnetic materials preparation or instead of iron with other metal ions, versatile carbon/metal composites will be possibly synthesized for catalysis, drug delivery and magnetic uses.

  19. IVth scientific congress of Central society of balneologists of Austria in Opatija, 1904.

    Science.gov (United States)

    Fischinger, Aleš; Fischinger, Janez; Fischinger, Duša

    2017-12-01

    The authors were interested in the lectures' themes, organisation, the course, and the accompanied activities at the balneology congress in Opatija in 1904. The congress was organised by the principle of the health resort at the time Professor Dr Julius Glax, and consisted of two separate parts. The first part was held in Opatija from October 13 until 15, 1904. There were lectures, auto-papers, summaries, reports, discussions, and the afternoon expert trip to Crikvenica by boat. In Opatija the participants were shown the spa park, the rehabilitation paths for patients with heart difficulties, marine baths Angiolona and Slatina, the covered spa Erzherzog Ludwig Viktor Bad, and of the health institution Zander Institute. At the accompanying exhibition the Austrian and German companies represented their products, among them still recognised Bayer, C. Reichert in Karl Zeiß. Additionally, the owner of the Zanderinstitut in Opatija Dr Isor Stein presented his own therapeutic aid exerciteur there. The first part of the congress concluded on October 15, 1904 with the great banquet in the hotel Stephanie.The second part of the congress was held from October 16 until 20, 1904. The expert trip was organised to the Austrian Riviera on the Pannonia ship. The participants visited attractions and health institutions in Mali Lošinj, Pula, Brijuni, Rovinj, Grado, Aquileia and Trieste, where they also had expert lectures. The closing ceremony of the second part of the congress was in Trieste, from where the participants returned to Vienna by the special train.

  20. Study of two examples of non linear interaction of a laser wave with matter: laser-induced damage of dielectrics and non linear optical properties of organometallic molecules in solution

    International Nuclear Information System (INIS)

    Gaudry, Jean-Baptiste

    2000-01-01

    This research thesis reports the study of two mechanisms of non linear interaction of a laser wave with matter. More particularly, it reports the experimental investigation of non linear optical properties of organometallic molecules in solution, as well as the damage of perfect silica under laser irradiation by using simulation codes. As far as optical properties are concerned, the author highlights the influence of the electronic configuration of the metal present in the organometallic compound, and the influence of the ligand on the second-order non-linear response. As far as the simulation is concerned, some experimental results have been reproduced. This work can be useful for the investigation of the extrinsic damage of imperfect materials, and for the design of experiments of transient measurements of excited silica [fr

  1. Bipodal surface organometallic complexes with surface N-donor ligands and application to the catalytic cleavage of C-H and C-C bonds in n -Butane

    KAUST Repository

    Bendjeriou-Sedjerari, Anissa

    2013-11-27

    We present a new generation of "true vicinal" functions well-distributed on the inner surface of SBA15: [(Sî - Si-NH 2)(≡Si-OH)] (1) and [(≡Si-NH2)2] (2). From these amine-modified SBA15s, two new well-defined surface organometallic species [(≡Si-NH-)(≡Si-O-)]Zr(CH2tBu) 2 (3) and [(≡Si-NH-)2]Zr(CH2tBu) 2 (4) have been obtained by reaction with Zr(CH2tBu) 4. The surfaces were characterized with 2D multiple-quantum 1H-1H NMR and infrared spectroscopies. Energy-filtered transmission electron microscopy (EFTEM), mass balance, and elemental analysis unambiguously proved that Zr(CH2tBu)4 reacts with these vicinal amine-modified surfaces to give mainly bipodal bis(neopentyl)zirconium complexes (3) and (4), uniformly distributed in the channels of SBA15. (3) and (4) react with hydrogen to give the homologous hydrides (5) and (6). Hydrogenolysis of n-butane catalyzed by these hydrides was carried out at low temperature (100 C) and low pressure (1 atm). While (6) exhibits a bis(silylamido)zirconium bishydride, [(≡Si-NH-)2]Zr(H) 2 (6a) (60%), and a bis(silylamido)silyloxozirconium monohydride, [(≡Si-NH-)2(≡Si-O-)]ZrH (6b) (40%), (5) displays a new surface organometallic complex characterized by an 1H NMR signal at 14.46 ppm. The latter is assigned to a (silylimido)(silyloxo)zirconium monohydride, [(≡Si-Nî)(≡Si-O-)]ZrH (5b) (30%), coexistent with a (silylamido)(silyloxo)zirconium bishydride, [(≡Si-NH-)(≡Si-O-)] Zr(H)2 (5a) (45%), and a silylamidobis(silyloxo)zirconium monohydride, [(≡Si-NH-)(≡Si-O-)2]ZrH (5c) (25%). Surprisingly, nitrogen surface ligands possess catalytic properties already encountered with silicon oxide surfaces, but interestingly, catalyst (5) with chelating [N,O] shows better activity than (6) with chelating [N,N]. © 2013 American Chemical Society.

  2. Bipodal surface organometallic complexes with surface N-donor ligands and application to the catalytic cleavage of C-H and C-C bonds in n -Butane

    KAUST Repository

    Bendjeriou-Sedjerari, Anissa; Azzi, Joachim; Abou-Hamad, Edy; Anjum, Dalaver H.; Pasha, Fahran A.; Huang, Kuo-Wei; Emsley, Lyndon; Basset, Jean-Marie

    2013-01-01

    We present a new generation of "true vicinal" functions well-distributed on the inner surface of SBA15: [(Sî - Si-NH 2)(≡Si-OH)] (1) and [(≡Si-NH2)2] (2). From these amine-modified SBA15s, two new well-defined surface organometallic species [(≡Si-NH-)(≡Si-O-)]Zr(CH2tBu) 2 (3) and [(≡Si-NH-)2]Zr(CH2tBu) 2 (4) have been obtained by reaction with Zr(CH2tBu) 4. The surfaces were characterized with 2D multiple-quantum 1H-1H NMR and infrared spectroscopies. Energy-filtered transmission electron microscopy (EFTEM), mass balance, and elemental analysis unambiguously proved that Zr(CH2tBu)4 reacts with these vicinal amine-modified surfaces to give mainly bipodal bis(neopentyl)zirconium complexes (3) and (4), uniformly distributed in the channels of SBA15. (3) and (4) react with hydrogen to give the homologous hydrides (5) and (6). Hydrogenolysis of n-butane catalyzed by these hydrides was carried out at low temperature (100 C) and low pressure (1 atm). While (6) exhibits a bis(silylamido)zirconium bishydride, [(≡Si-NH-)2]Zr(H) 2 (6a) (60%), and a bis(silylamido)silyloxozirconium monohydride, [(≡Si-NH-)2(≡Si-O-)]ZrH (6b) (40%), (5) displays a new surface organometallic complex characterized by an 1H NMR signal at 14.46 ppm. The latter is assigned to a (silylimido)(silyloxo)zirconium monohydride, [(≡Si-Nî)(≡Si-O-)]ZrH (5b) (30%), coexistent with a (silylamido)(silyloxo)zirconium bishydride, [(≡Si-NH-)(≡Si-O-)] Zr(H)2 (5a) (45%), and a silylamidobis(silyloxo)zirconium monohydride, [(≡Si-NH-)(≡Si-O-)2]ZrH (5c) (25%). Surprisingly, nitrogen surface ligands possess catalytic properties already encountered with silicon oxide surfaces, but interestingly, catalyst (5) with chelating [N,O] shows better activity than (6) with chelating [N,N]. © 2013 American Chemical Society.

  3. Single-Site VO x Moieties Generated on Silica by Surface Organometallic Chemistry: A Way To Enhance the Catalytic Activity in the Oxidative Dehydrogenation of Propane

    KAUST Repository

    Barman, Samir

    2016-07-26

    We report here an accurate surface organometallic chemistry (SOMC) approach to propane oxidative dehydrogenation (ODH) using a μ2-oxo-bridged, bimetallic [V2O4(acac)2] (1) (acac = acetylacetonate anion) complex as a precursor. The identity and the nuclearity of the product of grafting and of the subsequent oxidative treatment have been systematically studied by means of FT-IR, Raman, solid-state (SS) NMR, UV-vis DRS, EPR and EXAFS spectroscopies. We show that the grafting of 1 on the silica surface under a rigorous SOMC protocol and the subsequent oxidative thermal treatment lead exclusively to well-defined and isolated monovanadate species. The resulting material has been tested for the oxidative dehydrogenation of propane in a moderate temperature range (400-525 °C) and compared with that of silica-supported vanadium catalysts prepared by the standard impregnation technique. The experimental results show that the catalytic activity in propane ODH is strongly upgraded by the degree of isolation of the VOx species that can be achieved by employing the SOMC protocol. © 2016 American Chemical Society.

  4. Organometallic model complexes elucidate the active gallium species in alkane dehydrogenation catalysts based on ligand effects in Ga K-edge XANES

    Energy Technology Data Exchange (ETDEWEB)

    Getsoian, Andrew “Bean”; Das, Ujjal; Camacho-Bunquin, Jeffrey; Zhang, Guanghui; Gallagher, James R.; Hu, Bo; Cheah, Singfoong; Schaidle, Joshua A.; Ruddy, Daniel A.; Hensley, Jesse E.; Krause, Theodore R.; Curtiss, Larry A.; Miller, Jeffrey T.; Hock, Adam S.

    2016-01-01

    Gallium-modified zeolites are known catalysts for the dehydrogenation of alkanes, reactivity that finds industrial application in the aromatization of light alkanes by Ga-ZSM5. While the role of gallium cations in alkane activation is well known, the oxidation state and coordination environment of gallium under reaction conditions has been the subject of debate. Edge shifts in Ga K-edge XANES spectra acquired under reaction conditions have long been interpreted as evidence for reduction of Ga(III) to Ga(I). However, a change in oxidation state is not the only factor that can give rise to a change in the XANES spectrum. In order to better understand the XANES spectra of working catalysts, we have synthesized a series of molecular model compounds and grafted surface organometallic Ga species and compared their XANES spectra to those of gallium-based catalysts acquired under reducing conditions. We demonstrate that changes in the identity and number of gallium nearest neighbors can give rise to changes in XANES spectra similar to those attributed in literature to changes in oxidation state. Specifically, spectral features previously attributed to Ga(I) may be equally well interpreted as evidence for low-coordinate Ga(III) alkyl or hydride species. These findings apply both to gallium-impregnated zeolite catalysts and to silica-supported single site gallium catalysts, the latter of which is found to be active and selective for dehydrogenation of propane and hydrogenation of propylene.

  5. Single-Site VO x Moieties Generated on Silica by Surface Organometallic Chemistry: A Way To Enhance the Catalytic Activity in the Oxidative Dehydrogenation of Propane

    KAUST Repository

    Barman, Samir; Maity, Niladri; Bhatte, Kushal; Ould-Chikh, Samy; Dachwald, Oliver; Haeß ner, Carmen; Saih, Youssef; Abou-Hamad, Edy; Llorens, Isabelle; Hazemann, Jean-Louis; Kö hler, Klaus; D’ Elia, Valerio; Basset, Jean-Marie

    2016-01-01

    We report here an accurate surface organometallic chemistry (SOMC) approach to propane oxidative dehydrogenation (ODH) using a μ2-oxo-bridged, bimetallic [V2O4(acac)2] (1) (acac = acetylacetonate anion) complex as a precursor. The identity and the nuclearity of the product of grafting and of the subsequent oxidative treatment have been systematically studied by means of FT-IR, Raman, solid-state (SS) NMR, UV-vis DRS, EPR and EXAFS spectroscopies. We show that the grafting of 1 on the silica surface under a rigorous SOMC protocol and the subsequent oxidative thermal treatment lead exclusively to well-defined and isolated monovanadate species. The resulting material has been tested for the oxidative dehydrogenation of propane in a moderate temperature range (400-525 °C) and compared with that of silica-supported vanadium catalysts prepared by the standard impregnation technique. The experimental results show that the catalytic activity in propane ODH is strongly upgraded by the degree of isolation of the VOx species that can be achieved by employing the SOMC protocol. © 2016 American Chemical Society.

  6. Optimization of the quantitative direct solid total-reflection X-ray fluorescence analysis of glass microspheres functionalized with Zr organometallic compounds

    Energy Technology Data Exchange (ETDEWEB)

    Fernandez-Ruiz, Ramon, E-mail: ramon.fernandez@uam.e [Servicio Interdepartamental de Investigacion, Facultad de Ciencias, Universidad Autonoma de Madrid, Cantoblanco, E-28049, Madrid (Spain); Andres, Roman; Jesus, Ernesto de [Departamento de Quimica Inorganica, Universidad de Alcala, Campus Universitario, 28871, Alcala de Henares, Madrid (Spain); Terreros, Pilar [Instituto de Catalisis y Petroleo-Quimica, CSIC, Cantoblanco, 28049, Madrid (Spain)

    2010-06-15

    Quantitative determination of Zr in the system constituted by quartz microspheres functionalized with two kinds of organometallic compounds has been studied due to the importance of the correct quantization of the Zr from a catalytic point of view. Two parallel approximations were done, i.e. acid leaching and direct solid quantization. To validate the acid leaching TXRF measures, ICP-MS analysis were carried out. The results obtained by means of the optimization of the quantitative direct solid procedure show that, with a previous particle size distribution modification, TXRF obtain the same analytical results as ICP-MS and TXRF by acid leaching way but without previous chemical acid manipulation. This fact implies an important improvement for the analysis time, reagents costs and analysis facility and it proves again the versatility of TXRF to solve analytical problems in an easy, quick and accurate way. Additionally and for the direct solid TXRF measurements, a deeper study was done to evaluate the intrinsic analytical parameters of the Zr TXRF analysis of this material. So, the influence of the particle size distributions (modified by means of a high power ultrasound probe) with respect to uncertainty and detection limits for Zr were developed. The main analytical conclusion was the strong correlation between the average particle sizes and the TXRF analytical parameters of Zr measurements, i.e. concentration, accuracy, uncertainty and detection limits.

  7. Organometallic Polyelectrolytes: Synthesis, Characterization and Layer-By-Layer Deposition of Cationic Poly (ferrocenyl (3-ammoniumpropyl)-methylsilane)

    NARCIS (Netherlands)

    Hempenius, Mark A.; Robins, Neil S.; Lammertink, Rob G.H.; Vancso, Gyula J.

    2001-01-01

    The water soluble poly(ferrocenylsilane) polycation, poly(ferrocenyl(3-ammoniumpropyl)methylsilane), was synthesized by transition metal-catalyzed ring-opening polymerization of the novel [1]ferrocenophane Fe(-C5H4)2SiCH3(CH2)3Cl and by subsequent side group modification. Amination of the

  8. Quantitative DFT modeling of product concentration in organometallic reactions: Cu-mediated pentafluoroethylation of benzoic acid chlorides as a case study.

    Science.gov (United States)

    Jover, Jesús

    2017-11-08

    DFT calculations are widely used for computing properties, reaction mechanisms and energy profiles in organometallic reactions. A qualitative agreement between the experimental and the calculated results seems to usually be enough to validate a computational methodology but recent advances in computation indicate that a nearly quantitative agreement should be possible if an appropriate DFT study is carried out. Final percent product concentrations, often reported as yields, are by far the most commonly reported properties in experimental metal-mediated synthesis studies but reported DFT studies have not focused on predicting absolute product amounts. The recently reported stoichiometric pentafluoroethylation of benzoic acid chlorides (R-C 6 H 4 COCl) with [(phen)Cu(PPh 3 )C 2 F 5 ] (phen = 1,10-phenanthroline, PPh 3 = triphenylphosphine) has been used as a case study to check whether the experimental product concentrations can be reproduced by any of the most popular DFT approaches with high enough accuracy. To this end, the Gibbs energy profile for the pentafluoroethylation of benzoic acid chloride has been computed using 14 different DFT methods. These computed Gibbs energy profiles have been employed to build kinetic models predicting the final product concentration in solution. The best results are obtained with the D3-dispersion corrected B3LYP functional, which has been successfully used afterwards to model the reaction outcomes of other simple (R = o-Me, p-Me, p-Cl, p-F, etc.) benzoic acid chlorides. The product concentrations of more complex reaction networks in which more than one position of the substrate may be activated by the copper catalyst (R = o-Br and p-I) are also predicted appropriately.

  9. Organometallic chemical vapor deposition and characterization of ZnGe(1-x)Si(x)P2-Ge alloys on GaP substrates

    Science.gov (United States)

    Xing, G. C.; Bachmann, Klaus J.; Posthill, J. B.; Timmons, M. L.

    1993-01-01

    The epitaxial growth of ZnGe(1-x)Si(x)P2-Ge alloys on GaP substrates by open tube organometallic chemical vapor deposition (OMCVD) is reported. The chemical composition of the alloys characterized by energy dispersive X-ray spectroscopy shows that alloys with x up to 0.13 can be deposited on (001) GaP. Epitaxial growth with mirror smooth surface morphology was achieved for x less than or equal to 0.05. Transmission electron microscopy (TEM) micrographs of these alloys show specular epitaxy and the absence of microstructural defects indicating a defect density of less than 10(exp 7) cm(sup -2). Selected area electron diffraction pattern of the alloy shows that the epitaxial layer crystallizes in the chalcopyrite structure with relatively weak superlattice reflections indicating certain degree of randomness in the cation sublattice. Hall measurements show that the alloys are p-type, like the unalloyed films; the carrier concentration, however, dropped about 10 times from 2 x 10(exp 18) to 2 x 10(exp 17) cm(sup -3). Absorption measurements indicate that the band tailing in the absorption spectra of the alloy was shifted about 0.04 eV towards shorter wavelength as compared to the unalloyed material. Diodes fabricated from the n(+)-GaP/p-ZnSiP2-ZnGeP2-Ge heterostructure at x = 0.05 have a reverse break-down voltage of -10.8 V and a reverse saturation current density of approximately 6 x 10(exp -8) A/sq cm.

  10. Organometallic DNA-B12 Conjugates as Potential Oligonucleotide Vectors: Synthesis and Structural and Binding Studies with Human Cobalamin-Transport Proteins.

    Science.gov (United States)

    Mutti, Elena; Hunger, Miriam; Fedosov, Sergey; Nexo, Ebba; Kräutler, Bernhard

    2017-11-16

    The synthesis and structural characterization of Co-(dN) 25 -Cbl (Cbl: cobalamin; dN: deoxynucleotide) and Co-(dN) 39 -Cbl, which are organometallic DNA-B 12 conjugates with single DNA strands consisting of 25 and 39 deoxynucleotides, respectively, and binding studies of these two DNA-Cbl conjugates to three homologous human Cbl transporting proteins, transcobalamin (TC), intrinsic factor (IF), and haptocorrin (HC), are reported. This investigation tests the suitability of such DNA-Cbls for the task of eventual in vivo oligonucleotide delivery. The binding of DNA-Cbl to TC, IF, and HC was investigated in competition with either a fluorescent Cbl derivative and Co-(dN) 25 -Cbl, or radiolabeled vitamin B 12 ( 57 Co-CNCbl) and Co-(dN) 25 -Cbl or Co-(dN) 39 -Cbl. Binding of the new DNA-Cbl conjugates was fast and tight with TC, but poorer with HC and IF, which extends a similar original finding with the simpler DNA-Cbl, Co-(dN) 18 -Cbl. The contrasting affinities of TC versus IF and HC for the DNA-Cbl conjugates are rationalized herein by a stepwise mechanism of Cbl binding. Critical contributions to overall affinity result from gradual conformational adaptations of the Cbl-binding proteins to the DNA-Cbl, which is first bound to the respective β domains. This transition is fast with TC, but slow with IF and HC, with which weaker binding results. The invariably tight interaction of the DNA-Cbl conjugates with TC makes the Cbl moiety a potential natural vector for the specific delivery of oligonucleotide loads from the blood into cells. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  11. Iron(III-salophene: an organometallic compound with selective cytotoxic and anti-proliferative properties in platinum-resistant ovarian cancer cells.

    Directory of Open Access Journals (Sweden)

    Thilo S Lange

    2008-05-01

    Full Text Available In this pioneer study to the biological activity of organometallic compound Iron(III-salophene (Fe-SP the specific effects of Fe-SP on viability, morphology, proliferation, and cell-cycle progression on platinum-resistant ovarian cancer cell lines were investigated.Fe-SP displayed selective cytotoxicity against SKOV-3 and OVCAR-3 (ovarian epithelial adenocarcinoma cell lines at concentrations between 100 nM and 1 microM, while the viability of HeLa cells (epithelial cervix adenocarcinoma or primary lung or skin fibroblasts was not affected. SKOV-3 cells in contrast to fibroblasts after treatment with Fe-SP revealed apparent hallmarks of apoptosis including densely stained nuclear granular bodies within fragmented nuclei, highly condensed chromatin and chromatin fragmentation. Fe-SP treatment led to the activation of markers of the extrinsic (Caspase-8 and intrinsic (Caspase-9 pathway of apoptosis as well as of executioner Caspase-3 while PARP-1 was deactivated. Fe-SP exerted effects as an anti-proliferative agent with an IC(50 value of 300 nM and caused delayed progression of cells through S-phase phase of the cell cycle resulting in a complete S-phase arrest. When intra-peritoneally applied to rats Fe-SP did not show any systemic toxicity at concentrations that in preliminary trials were determined to be chemotherapeutic relevant doses in a rat ovarian cancer cell model.The present report suggests that Fe-SP is a potent growth-suppressing agent in vitro for cell lines derived from ovarian cancer and a potential therapeutic drug to treat such tumors in vivo.

  12. Electro-oxidation of methanol in alkaline conditions using Pd–Ni nanoparticles prepared from organometallic precursors and supported on carbon vulcan

    Energy Technology Data Exchange (ETDEWEB)

    Manzo-Robledo, A., E-mail: amanzor@ipn.mx [UPALM, Laboratorio de Electroquímica y Corrosión, Escuela Superior de Ingeniería Química e Industrias Extractivas-IPN (Mexico); Costa, Natália J. S. [Universidade de São Paulo, Instituto de Química (Brazil); Philippot, K. [CNRS, LCC, Laboratoire de Chimie de Coordination (France); Rossi, Liane M. [Universidade de São Paulo, Instituto de Química (Brazil); Ramírez-Meneses, E. [Universidad Iberoamericana, Departamento de Ingeniería y Ciencias Químicas (Mexico); Guerrero-Ortega, L. P. A. [UPALM, Laboratorio de Electroquímica y Corrosión, Escuela Superior de Ingeniería Química e Industrias Extractivas-IPN (Mexico); Ezquerra-Quiroga, S. [Universidad Iberoamericana, Departamento de Ingeniería y Ciencias Químicas (Mexico)

    2015-12-15

    Oxidation of low-molecular weight alcohols as energy sources using metal nanoparticles has attracted considerable interest for use as a power source in portable electronic devices. In this work, a series of mono- and bimetallic nanoparticles based on palladium and nickel (Pd, Pd{sub 90}Ni{sub 10}, Pd{sub 50}Ni{sub 50}, Pd{sub 10}Ni{sub 90}, and Ni) have been synthesized from organometallic precursors, namely tris(dibenzylideneacetone) dipalladium(0), Pd{sub 2}(dba){sub 3}, and bis(1,5-cyclooctadiene)nickel(0), Ni(cod){sub 2}. Well-defined metal particles in the nanometric scale from 4.2 to 6.3 nm were observed by transmission electron microscopy. The as-prepared nanoparticles were mixed with a carbon Vulcan matrix (10 % wt. of the catalyst in turn) for investigation as electrocatalysts in methanol oxidation reaction (MOR) in alkaline conditions. The i–E profiles from cyclic voltammetry for the monometallic systems indicated a redox process attributed only to palladium or nickel, as expected. With the bimetallic nanomaterials, the redox process and the i–E characteristics are functions of the amount of nickel associated to palladium. From a fundamental point of view, it has been established that the OH ions’ interfacial interaction and the MOR kinetics are affected by the presence of nickel (decreasing the faradic current) as supported by the current versus potential profiles obtained as a function of methanol concentration and with temperature variation.

  13. Spectroelectrochemistry: A valuable tool for the study of organometallic-alkyne, -vinylidene, -cumulene, -alkynyl and related complexes

    International Nuclear Information System (INIS)

    Low, Paul J.; Bock, Sören

    2013-01-01

    This review presents a highly selective summary of spectroelectrochemical methods used in the study of metal alkyne, acetylide, vinylidene and allenylidene complexes. The review is illustrated predominantly by the selected examples from the authors’ group that formed the basis of a lecture at the recent ISE Annual Meeting. Emphasis is placed on the use of spectroelectrochemical methods to study redox-induced ligand isomerisation reactions, and determination of molecular electronic structure, which complement the conventional tools available to the synthetic chemist for characterisation of molecular compounds. The role of computational studies in supporting the interpretation of spectroscopic data is also briefly discussed

  14. Group X

    Energy Technology Data Exchange (ETDEWEB)

    Fields, Susannah

    2007-08-16

    This project is currently under contract for research through the Department of Homeland Security until 2011. The group I was responsible for studying has to remain confidential so as not to affect the current project. All dates, reference links and authors, and other distinguishing characteristics of the original group have been removed from this report. All references to the name of this group or the individual splinter groups has been changed to 'Group X'. I have been collecting texts from a variety of sources intended for the use of recruiting and radicalizing members for Group X splinter groups for the purpose of researching the motivation and intent of leaders of those groups and their influence over the likelihood of group radicalization. This work included visiting many Group X websites to find information on splinter group leaders and finding their statements to new and old members. This proved difficult because the splinter groups of Group X are united in beliefs, but differ in public opinion. They are eager to tear each other down, prove their superiority, and yet remain anonymous. After a few weeks of intense searching, a list of eight recruiting texts and eight radicalizing texts from a variety of Group X leaders were compiled.

  15. Group Flow and Group Genius

    Science.gov (United States)

    Sawyer, Keith

    2015-01-01

    Keith Sawyer views the spontaneous collaboration of group creativity and improvisation actions as "group flow," which organizations can use to function at optimum levels. Sawyer establishes ideal conditions for group flow: group goals, close listening, complete concentration, being in control, blending egos, equal participation, knowing…

  16. Spectroscopic mapping and selective electronic tuning of molecular orbitals in phosphorescent organometallic complexes – a new strategy for OLED materials

    Directory of Open Access Journals (Sweden)

    Pascal R. Ewen

    2014-11-01

    Full Text Available The improvement of molecular electronic devices such as organic light-emitting diodes requires fundamental knowledge about the structural and electronic properties of the employed molecules as well as their interactions with neighboring molecules or interfaces. We show that highly resolved scanning tunneling microscopy (STM and spectroscopy (STS are powerful tools to correlate the electronic properties of phosphorescent complexes (i.e., triplet emitters with their molecular structure as well as the local environment around a single molecule. We used spectroscopic mapping to visualize several occupied and unoccupied molecular frontier orbitals of Pt(II complexes adsorbed on Au(111. The analysis showed that the molecules exhibit a peculiar localized strong hybridization that leads to partial depopulation of a dz² orbital, while the ligand orbitals are almost unchanged. We further found that substitution of functional groups at well-defined positions can alter specific molecular orbitals without influencing the others. The results open a path toward the tailored design of electronic and optical properties of triplet emitters by smart ligand substitution, which may improve the performance of future OLED devices.

  17. RF plasma deposition of thin SixGeyCz:H films using a combination of organometallic source materials

    International Nuclear Information System (INIS)

    Rapiejko, C.; Gazicki-Lipman, M.; Klimek, L.; Szymanowski, H.; Strojek, M.

    2004-01-01

    Elements of the IV group of periodic table have been strongly present in the fast development of PECVD techniques for the last two decades at least. As a result, deposition technologies of such materials as a-Si:H, a-C:H, mμ-C:H or DLC have been successfully established. What has followed is an ever growing interest in binary systems of the A x (IV)B y (IV):H kind. One possible way to deposit such systems is to use organosilicon compounds (to deposit Si x C y :H films) or organogermanium compounds (to deposit Ge x C y :H films), as source substances. The present paper reports on a RF plasma deposition of a Si x Ge y C z :H ternary system, using a combination of organosilicon and organogermanium compounds. Thin Si/Ge/C films have been fabricated in a small volume (ca. 2 dm 3 ) parallel plate RF plasma reactor using, as a source material, a combination of tetramethylsilane (TMS) and tetramethylgermanium (TMG) vapours carried by argon. SEM investigations reveal a continuous compact character of the coatings and their uniform thickness. The elemental composition of the films has been studied using EDX analysis. The results of the analysis show that the elemental composition of the films can be controlled by both the TMG/TMS ratio of the initial mixture and the RF power input. Ellipsometric measurements show good homogeneity of these materials. Chemical bonding in the films has been studied using the FTIR technique. Bandgap calculations have been carried out using ellipsometric data and by applying both the Tauc law and the Moss approach

  18. Permutation groups

    CERN Document Server

    Passman, Donald S

    2012-01-01

    This volume by a prominent authority on permutation groups consists of lecture notes that provide a self-contained account of distinct classification theorems. A ready source of frequently quoted but usually inaccessible theorems, it is ideally suited for professional group theorists as well as students with a solid background in modern algebra.The three-part treatment begins with an introductory chapter and advances to an economical development of the tools of basic group theory, including group extensions, transfer theorems, and group representations and characters. The final chapter feature

  19. Chemistry of the Colloidal Group II-VI Nanocrystal Synthesis

    International Nuclear Information System (INIS)

    Liu, Haitao

    2007-01-01

    In the last two decades, the field of nanoscience and nanotechnology has witnessed tremendous advancement in the synthesis and application of group II-VI colloidal nanocrystals. The synthesis based on high temperature decomposition of organometallic precursors has become one of the most successful methods of making group II-VI colloidal nanocrystals. This method is first demonstrated by Bawendi and coworkers in 1993 to prepare cadmium chalcogenide colloidal quantum dots and later extended by others to prepare other group II-VI quantum dots as well as anisotropic shaped colloidal nanocrystals, such as nanorod and tetrapod. This dissertation focuses on the chemistry of this type of nanocrystal synthesis. The synthesis of group II-VI nanocrystals was studied by characterizing the molecular structures of the precursors and products and following their time evolution in the synthesis. Based on these results, a mechanism was proposed to account for the 2 reaction between the precursors that presumably produces monomer for the growth of nanocrystals. Theoretical study based on density functional theory calculations revealed the detailed free energy landscape of the precursor decomposition and monomer formation pathway. Based on the proposed reaction mechanism, a new synthetic method was designed that uses water as a novel reagent to control the diameter and the aspect ratio of CdSe and CdS nanorods

  20. Chemistry of the Colloidal Group II-VI Nanocrystal Synthesis

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Haitao [Univ. of California, Berkeley, CA (United States)

    2007-05-17

    In the last two decades, the field of nanoscience andnanotechnology has witnessed tremendous advancement in the synthesis andapplication of group II-VI colloidal nanocrystals. The synthesis based onhigh temperature decomposition of organometallic precursors has becomeone of the most successful methods of making group II-VI colloidalnanocrystals. This methodis first demonstrated by Bawendi and coworkersin 1993 to prepare cadmium chalcogenide colloidal quantum dots and laterextended by others to prepare other group II-VI quantum dots as well asanisotropic shaped colloidal nanocrystals, such as nanorod and tetrapod.This dissertation focuses on the chemistry of this type of nanocrystalsynthesis. The synthesis of group II-VI nanocrystals was studied bycharacterizing the molecular structures of the precursors and productsand following their time evolution in the synthesis. Based on theseresults, a mechanism was proposed to account for the 2 reaction betweenthe precursors that presumably produces monomer for the growth ofnanocrystals. Theoretical study based on density functional theorycalculations revealed the detailed free energy landscape of the precursordecomposition and monomerformation pathway. Based on the proposedreaction mechanism, a new synthetic method was designed that uses wateras a novel reagent to control the diameter and the aspect ratio of CdSeand CdS nanorods.

  1. Group devaluation and group identification

    NARCIS (Netherlands)

    Leach, C.W.; Rodriguez Mosquera, P.M.; Vliek, M.L.W.; Hirt, E.

    2010-01-01

    In three studies, we showed that increased in-group identification after (perceived or actual) group devaluation is an assertion of a (preexisting) positive social identity that counters the negative social identity implied in societal devaluation. Two studies with real-world groups used order

  2. Lie groups and algebraic groups

    Indian Academy of Sciences (India)

    We give an exposition of certain topics in Lie groups and algebraic groups. This is not a complete ... of a polynomial equation is equivalent to the solva- bility of the equation ..... to a subgroup of the group of roots of unity in k (in particular, it is a ...

  3. Group Work

    Science.gov (United States)

    Wilson, Kristy J.; Brickman, Peggy; Brame, Cynthia J.

    2018-01-01

    Science, technology, engineering, and mathematics faculty are increasingly incorporating both formal and informal group work in their courses. Implementing group work can be improved by an understanding of the extensive body of educational research studies on this topic. This essay describes an online, evidence-based teaching guide published by…

  4. Reflection groups

    International Nuclear Information System (INIS)

    Eggermont, G.

    2006-01-01

    In 2005, PISA organised proactive meetings of reflection groups on involvement in decision making, expert culture and ethical aspects of radiation protection.All reflection group meetings address particular targeted audiences while the output publication in book form is put forward

  5. Inorganic, coordination and organometallic compounds

    International Nuclear Information System (INIS)

    Jursik, F.

    1978-01-01

    Separation of cations and anions of inorganic, coordination and metalloorganic compounds by the method of liquid column chromatography is considered. Common scheme of multicomponent cation mixture is suggesteed. Separation conditions, adsrbents, eluents, pH value solution concenstration, elution rate are also suggested. Separation of rare earth elements Cs, Be, Cd, Te, Th, U, Mo, Re, V, Ru, Zr, In compounds is considered as an example of liquid column chromatography application. Data on column chromatography application are summarized in a table

  6. Group theory

    CERN Document Server

    Scott, W R

    2010-01-01

    Here is a clear, well-organized coverage of the most standard theorems, including isomorphism theorems, transformations and subgroups, direct sums, abelian groups, and more. This undergraduate-level text features more than 500 exercises.

  7. Group Grammar

    Science.gov (United States)

    Adams, Karen

    2015-01-01

    In this article Karen Adams demonstrates how to incorporate group grammar techniques into a classroom activity. In the activity, students practice using the target grammar to do something they naturally enjoy: learning about each other.

  8. Computer group

    International Nuclear Information System (INIS)

    Bauer, H.; Black, I.; Heusler, A.; Hoeptner, G.; Krafft, F.; Lang, R.; Moellenkamp, R.; Mueller, W.; Mueller, W.F.; Schati, C.; Schmidt, A.; Schwind, D.; Weber, G.

    1983-01-01

    The computer groups has been reorganized to take charge for the general purpose computers DEC10 and VAX and the computer network (Dataswitch, DECnet, IBM - connections to GSI and IPP, preparation for Datex-P). (orig.)

  9. Group learning

    DEFF Research Database (Denmark)

    Pimentel, Ricardo; Noguira, Eloy Eros da Silva; Elkjær, Bente

    The article presents a study that aims at the apprehension of the group learning in a top management team composed by teachers in a Brazilian Waldorf school whose management is collective. After deciding to extend the school, they had problems recruiting teachers who were already trained based...... on the Steiner´s ideas, which created practical problems for conducting management activities. The research seeks to understand how that group of teachers collectively manage the school, facing the lack of resources, a significant heterogeneity in the relationships, and the conflicts and contradictions......, and they are interrelated to the group learning as the construction, maintenance and reconstruction of the intelligibility of practices. From this perspective, it can be said that learning is a practice and not an exceptional phenomenon. Building, maintaining and rebuilding the intelligibility is the group learning...

  10. Group technology

    International Nuclear Information System (INIS)

    Rome, C.P.

    1976-01-01

    Group Technology has been conceptually applied to the manufacture of batch-lots of 554 machined electromechanical parts which now require 79 different types of metal-removal tools. The products have been grouped into 7 distinct families which require from 8 to 22 machines in each machine-cell. Throughput time can be significantly reduced and savings can be realized from tooling, direct-labor, and indirect-labor costs

  11. Abelian groups

    CERN Document Server

    Fuchs, László

    2015-01-01

    Written by one of the subject’s foremost experts, this book focuses on the central developments and modern methods of the advanced theory of abelian groups, while remaining accessible, as an introduction and reference, to the non-specialist. It provides a coherent source for results scattered throughout the research literature with lots of new proofs. The presentation highlights major trends that have radically changed the modern character of the subject, in particular, the use of homological methods in the structure theory of various classes of abelian groups, and the use of advanced set-theoretical methods in the study of undecidability problems. The treatment of the latter trend includes Shelah’s seminal work on the undecidability in ZFC of Whitehead’s Problem; while the treatment of the former trend includes an extensive (but non-exhaustive) study of p-groups, torsion-free groups, mixed groups, and important classes of groups arising from ring theory. To prepare the reader to tackle these topics, th...

  12. Theoretical study of the structure and reactivity of lanthanide and actinide based organometallic complexes; Etude theorique de la structure et de la reactivite de complexes organometalliques de lanthanides et d'actinides

    Energy Technology Data Exchange (ETDEWEB)

    Barros, N

    2007-06-15

    In this PhD thesis, lanthanide and actinide based organometallic complexes are studied using quantum chemistry methods. In a first part, the catalytic properties of organo-lanthanide compounds are evaluated by studying two types of reactions: the catalytic hydro-functionalization of olefins and the polymerisation of polar monomers. The reaction mechanisms are theoretically determined and validated, and the influence of possible secondary non productive reactions is envisaged. A second part focuses on uranium-based complexes. Firstly, the electronic structure of uranium metallocenes is analysed. An analogy with the uranyl compounds is proposed. In a second chapter, two isoelectronic complexes of uranium IV are studied. After validating the use of DFT methods for describing the electronic structure and the reactivity of these compounds, it is shown that their reactivity difference can be related to a different nature of chemical bonding in these complexes. (author)

  13. Group dynamics.

    Science.gov (United States)

    Scandiffio, A L

    1990-12-01

    Group dynamics play a significant role within any organization, culture, or unit. The important thing to remember with any of these structures is that they are made up of people--people with different ideas, motivations, background, and sometimes different agendas. Most groups, formal or informal, look for a leader in an effort to maintain cohesiveness of the unit. At times, that cultural bond must be developed; once developed, it must be nurtured. There are also times that one of the group no longer finds the culture comfortable and begins to act out behaviorally. It is these times that become trying for the leader as she or he attempts to remain objective when that which was once in the building phase of group cohesiveness starts to fall apart. At all times, the manager must continue to view the employee creating the disturbance as an integral part of the group. It is at this time that it is beneficial to perceive the employee exhibiting problem behaviors as a special employee, as one who needs the benefit of your experience and skills, as one who is still part of the group. It is also during this time that the manager should focus upon her or his own views in the area of power, communication, and the corporate culture of the unit that one has established before attempting to understand another's point of view. Once we understand our own motivation and accept ourselves, it is then that we may move on to offer assistance to another. Once we understand our insecurities recognizing staff dysfunction as a symptom of system dysfunction will not be so threatening to the concept of the manager that we perceive ourselves to be. It takes a secure person to admit that she or he favors staff before deciding to do something to change things. The important thing to know is that it can be done. The favored staff can find a new way of relating to others, the special employee can find new modes of behavior (and even find self-esteem in the process), the group can find new ways

  14. Group representations

    CERN Document Server

    Karpilovsky, G

    1994-01-01

    This third volume can be roughly divided into two parts. The first part is devoted to the investigation of various properties of projective characters. Special attention is drawn to spin representations and their character tables and to various correspondences for projective characters. Among other topics, projective Schur index and projective representations of abelian groups are covered. The last topic is investigated by introducing a symplectic geometry on finite abelian groups. The second part is devoted to Clifford theory for graded algebras and its application to the corresponding theory

  15. Lego Group

    DEFF Research Database (Denmark)

    Møller Larsen, Marcus; Pedersen, Torben; Slepniov, Dmitrij

    2010-01-01

    The last years’ rather adventurous journey from 2004 to 2009 had taught the fifth-largest toy-maker in the world - the LEGO Group - the importance of managing the global supply chain effectively. In order to survive the largest internal financial crisis in its roughly 70 years of existence......, the management had, among many initiatives, decided to offshore and outsource a major chunk of its production to Flextronics. In this pursuit of rapid cost-cutting sourcing advantages, the LEGO Group planned to license out as much as 80 per cent of its production besides closing down major parts...

  16. Informal groups

    NARCIS (Netherlands)

    E. van den Berg; P. van Houwelingen; J. de Hart

    2011-01-01

    Original title: Informele groepen Going out running with a group of friends, rather than joining an official sports club. Individuals who decide to take action themselves rather than giving money to good causes. Maintaining contact with others not as a member of an association, but through an

  17. COMMUNICATIONS GROUP

    CERN Multimedia

    L. Taylor

    2011-01-01

    The CMS Communications Group, established at the start of 2010, has been busy in all three areas of its responsibility: (1) Communications Infrastructure, (2) Information Systems, and (3) Outreach and Education. Communications Infrastructure There are now 55 CMS Centres worldwide that are well used by physicists working on remote CMS shifts, Computing operations, data quality monitoring, data analysis and outreach. The CMS Centre@CERN in Meyrin, is the centre of the CMS offline and computing operations, hosting dedicated analysis efforts such as during the CMS Heavy Ion lead-lead running. With a majority of CMS sub-detectors now operating in a “shifterless” mode, many monitoring operations are now routinely performed from there, rather than in the main Control Room at P5. The CMS Communications Group, CERN IT and the EVO team are providing excellent videoconferencing support for the rapidly-increasing number of CMS meetings. In parallel, CERN IT and ...

  18. Group therapy

    International Nuclear Information System (INIS)

    Anon.

    1993-01-01

    Full text: In his review 'Genesis of Unified Gauge Theories' at the symposium in Honour of Abdus Salam (June, page 23), Tom Kibble of Imperial College, London, looked back to the physics events around Salam from 1959-67. He described how, in the early 1960s, people were pushing to enlarge the symmetry of strong interactions beyond the SU(2) of isospin and incorporate the additional strangeness quantum number. Kibble wrote - 'Salam had students working on every conceivable symmetry group. One of these was Yuval Ne'eman, who had the good fortune and/or prescience to work on SU(3). From that work, and of course from the independent work of Murray Gell- Mann, stemmed the Eightfold Way, with its triumphant vindication in the discovery of the omega-minus in 1964.' Yuval Ne'eman writes - 'I was the Defence Attaché at the Israeli Embassy in London and was admitted by Salam as a part-time graduate student when I arrived in 1958. I started research after resigning from the Embassy in May 1960. Salam suggested a problem: provide vector mesons with mass - the problem which was eventually solved by Higgs, Guralnik, Kibble,.... (as described by Kibble in his article). I explained to Salam that I had become interested in symmetry. Nobody at Imperial College at the time, other than Salam himself, was doing anything in groups, and attention further afield was focused on the rotation - SO(N) - groups. Reacting to my own half-baked schemes, Salam told me to forget about the rotation groups he taught us, and study group theory in depth, directing me to Eugene Dynkin's classification of Lie subalgebras, about which he had heard from Morton Hamermesh. I found Dynkin incomprehensible without first learning about Lie algebras from Henri Cartan's thesis, which luckily had been reproduced by Dynkin in his 1946 thesis, using his diagram method. From a copy of a translation of Dynkin's thesis which I found in the British Museum Library, I

  19. COMMUNICATIONS GROUP

    CERN Multimedia

    L. Taylor

    2010-01-01

    The CMS Communications Group, established at the start of 2010, has been strengthening the activities in all three areas of its responsibility: (1) Communications Infrastructure, (2) Information Systems, and (3) Outreach and Education. Communications Infrastructure The Communications Group has invested a lot of effort to support the operations needs of CMS. Hence, the CMS Centres where physicists work on remote CMS shifts, Data Quality Monitoring, and Data Analysis are running very smoothly. There are now 55 CMS Centres worldwide, up from just 16 at the start of CMS data-taking. The latest to join are Imperial College London, the University of Iowa, and the Università di Napoli. The CMS Centre@CERN in Meyrin, which is now full repaired after the major flooding at the beginning of the year, has been at the centre of CMS offline and computing operations, most recently hosting a large fraction of the CMS Heavy Ion community during the lead-lead run. A number of sub-detector shifts can now take pla...

  20. Group play

    DEFF Research Database (Denmark)

    Tychsen, Anders; Hitchens, Michael; Brolund, Thea

    2008-01-01

    Role-playing games (RPGs) are a well-known game form, existing in a number of formats, including tabletop, live action, and various digital forms. Despite their popularity, empirical studies of these games are relatively rare. In particular there have been few examinations of the effects of the v......Role-playing games (RPGs) are a well-known game form, existing in a number of formats, including tabletop, live action, and various digital forms. Despite their popularity, empirical studies of these games are relatively rare. In particular there have been few examinations of the effects...... of the various formats used by RPGs on the gaming experience. This article presents the results of an empirical study, examining how multi-player tabletop RPGs are affected as they are ported to the digital medium. Issues examined include the use of disposition assessments to predict play experience, the effect...... of group dynamics, the influence of the fictional game characters and the comparative play experience between the two formats. The results indicate that group dynamics and the relationship between the players and their digital characters, are integral to the quality of the gaming experience in multiplayer...

  1. COMMUNICATIONS GROUP

    CERN Multimedia

    L. Taylor

    2011-01-01

    The CMS Communications Group has been busy in all three areas of its responsibility: (1) Communications Infrastructure, (2) Information Systems, and (3) Outreach and Education. Communications Infrastructure The 55 CMS Centres worldwide are well used by physicists working on remote CMS shifts, Computing operations, data quality monitoring, data analysis and outreach. The CMS Centre@CERN in Meyrin, is the centre of the CMS Offline and Computing operations, and a number of subdetector shifts can now take place there, rather than in the main Control Room at P5. A new CMS meeting room has been equipped for videoconferencing in building 42, next to building 40. Our building 28 meeting room and the facilities at P5 will be refurbished soon and plans are underway to steadily upgrade the ageing equipment in all 15 CMS meeting rooms at CERN. The CMS evaluation of the Vidyo tool indicates that it is not yet ready to be considered as a potential replacement for EVO. The Communications Group provides the CMS-TV (web) cha...

  2. COMMUNICATIONS GROUP

    CERN Multimedia

    L. Taylor

    2010-01-01

    The recently established CMS Communications Group, led by Lucas Taylor, has been busy in all three of its main are areas of responsibility: Communications Infrastructure, Information Systems, and Outreach and Education Communications Infrastructure The damage caused by the flooding of the CMS Centre@CERN on 21st December has been completely repaired and all systems are back in operation. Major repairs were made to the roofs, ceilings and one third of the floor had to be completely replaced. Throughout these works, the CMS Centre was kept operating and even hosted a major press event for first 7 TeV collisions, as described below. Incremental work behind the scenes is steadily improving the quality of the CMS communications infrastructure, particularly Webcasting, video conferencing, and meeting rooms at CERN. CERN/IT is also deploying a pilot service of a new videoconference tool called Vidyo, to assess whether it might provide an enhanced service at a lower cost, compared to the EVO tool currently in w...

  3. COMMUNICATIONS GROUP

    CERN Multimedia

    L. Taylor

    2011-01-01

    Communications Infrastructure The 55 CMS Centres worldwide are well used by physicists working on remote CMS shifts, Computing operations, data quality monitoring, data analysis and outreach. The CMS Centre@CERN in Meyrin is particularly busy at the moment, hosting about 50 physicists taking part in the heavy-ion data-taking and analysis. Three new CMS meeting room will be equipped for videoconferencing in early 2012: 40/5B-08, 42/R-031, and 28/S-029. The CMS-TV service showing LHC Page 1, CMS Page 1, etc. (http://cmsdoc.cern.ch/cmscc/projector/index.jsp) is now also available for mobile devices: http://cern.ch/mcmstv. Figure 12: Screenshots of CMS-TV for mobile devices Information Systems CMS has a new web site: (http://cern.ch/cms) using a modern web Content Management System to ensure content and links are managed and updated easily and coherently. It covers all CMS sub-projects and groups, replacing the iCMS internal pages. It also incorporates the existing CMS public web site (http:/...

  4. COMMUNICATIONS GROUP

    CERN Multimedia

    L. Taylor

    2012-01-01

      Outreach and Education We are fortunate that our research has captured the public imagination, even though this inevitably puts us under the global media spotlight, as we saw with the Higgs seminar at CERN in December, which had 110,000 distinct webcast viewers. The media interest was huge with 71 media organisations registering to come to CERN to cover the Higgs seminar, which was followed by a press briefing with the DG and Spokespersons. This event resulted in about 2,000 generally positive stories in the global media. For this seminar, the CMS Communications Group prepared up-to-date news and public material, including links to the CMS results, animations and event displays [http://cern.ch/go/Ch8thttp://cern.ch/go/Ch8t]. There were 44,000 page-views on the CMS public website, with the Higgs news article being by far the most popular item. CMS event displays from iSpy are fast becoming the iconic media images, featuring on numerous major news outlets (BBC, CNN, MSN...) as well as in the sci...

  5. Group IB Organometallic Chemistry XXXIV: Thermal behavior and chemical reactivity of tetranuclear Me2N-substituted diarylpropenylcopper-copper anion (Vi2Cu4X2) and mixed diarylpropenyl/organocopper (Vi2Cu4R2) compounds

    NARCIS (Netherlands)

    Koten, G. van; Hoedt, R.W.M. ten; Noltes, J.G.

    1980-01-01

    Thermal decomposition of configurationally pure 1, 2-diarylpropenylcopper compounds Z-Vi{2}CU{4}Br{2} and Z-Vi{2}Cu{4}R{2} [Vi @? (2-Me{2}NC{6}H{4})C@?C(Me)-(C{6}H{4}Me-4), R @? 2-Me{2}NC{6}H{4} or 4-MeC{6}H{4}C@?C] predominantly results in the formation of ViH. In contrast, only dimers (ViVi) were

  6. Group ib organometallic chemistry. XXXIV. Thermal behaviour and chemical reactivity of tetranuclear Me2N-substituted diarypropenylcopper-copper anion (Vi2Cu4X2) and mixed diarylpropenyl/organocopper (Vi2Cu4R2) compounds

    NARCIS (Netherlands)

    Hoedt, R.W.M. ten; Koten, G. van; Noltes, J.G.

    1980-01-01

    Thermal decomposition of configurationally pure 1,2-diarylpropenylcopper compounds Z-Vi2CU4Br2 and Z-Vi2Cu4R2 [Vi = (2-Me2NC6H4)C=C(Me)-(C6H4Me-4), R = 2-Me2NC6H4 or 4-MeC6H4CC] predominantly results in the formation of ViH. In contrast, only dimers (ViVi) were formed on thermolysis of (Z-ViCu2OTf)η

  7. Understanding of the structure activity relationship of PtPd bimetallic catalysts prepared by surface organometallic chemistry and ion exchange during the reaction of iso-butane with hydrogen

    KAUST Repository

    Al-Shareef, Reem A.; Harb, Moussab; Saih, Youssef; Ould-Chikh, Samy; Roldan, Manuel A.; Anjum, Dalaver H.; Guyonnet, Elodie Bile; Candy, Jean-Pierre; Jan, Deng-Yang; Abdo, Suheil F.; Aguilar-Tapia, Antonio; Proux, Olivier; Hazemann, Jean-Louis; Basset, Jean-Marie

    2018-01-01

    Well-defined silica supported bimetallic catalysts Pt100-x Pdx were prepared by Surface Organometallic Chemistry (SOMC) and Ionic-Exchange (IE) methods. For all investigated catalysts, iso-butane reaction with hydrogen under differential conditions led to the formation of methane and propane, n-butane, and traces of iso-butylene. The total reaction rate decreased with increasing the Pd loading for both catalysts series as a result of decreasing turnover rate of both isomerization and hydrogenolysis. In the case of Pt100-x Pdx(SOMC) catalysts, the experimental results in combination with DFT calculations suggested a selective coverage of Pt (1 0 0) surface by agglomerated Pd atoms like “islands”, assuming that each metal roughly keeps its intrinsic catalytic properties with relatively small electron transfer from Pt to Pd in the case of Pt-rich sample and from Pd to Pt in the case of Pd-rich sample. For the PtPd catalysts prepared by IE, the catalytic behavior could be explained by the formation of a surface alloy between Pt and Pd in the case of Pd-rich sample and by the segregation of a small amount of Pd on the surface in the case of Pt-rich sample, as demonstrated by TEM, EXAFS and DFT. The catalytic results were explained by a structure activity relationship based on the proposed mechanism of CH bond and CC bond activation and cleavage for iso-butane hydrogenolysis, isomerization, cracking and dehydrogenation.

  8. Synthesis and characterization of a liquid Eu precursor (EuCp{sup pm}{sub 2}) allowing for valence control of Eu ions doped into GaN by organometallic vapor phase epitaxy

    Energy Technology Data Exchange (ETDEWEB)

    Mitchell, Brandon, E-mail: bmitchell@wcupa.edu [Department of Physics, West Chester University, West Chester, PA, 19383 (United States); Division of Materials and Manufacturing Science, Graduate School of Engineering, Osaka University, 2-1 Yamadaoka, Suita, Osaka, 565-0871 (Japan); Koizumi, Atsushi; Nunokawa, Takumi; Wakamatsu, Ryuta; Lee, Dong-gun; Saitoh, Yasuhisa; Timmerman, Dolf [Division of Materials and Manufacturing Science, Graduate School of Engineering, Osaka University, 2-1 Yamadaoka, Suita, Osaka, 565-0871 (Japan); Kuboshima, Yoshinori; Mogi, Takayuki; Higashi, Shintaro; Kikukawa, Kaoru [Kojundo Chemical Laboratory Co., Ltd., 5-1-28 Chiyoda, Sakado, Saitama, 350-0284 (Japan); Ofuchi, Hironori; Honma, Tetsuo [Japan Synchrotron Radiation Research Institute (JASRI/SPring-8), 1-1-1 Kouto, Sayo-cho, Sayo-gun, Hyogo, 679-5198 (Japan); Fujiwara, Yasufumi, E-mail: fujiwara@mat.eng.osaka-u.ac.jp [Division of Materials and Manufacturing Science, Graduate School of Engineering, Osaka University, 2-1 Yamadaoka, Suita, Osaka, 565-0871 (Japan)

    2017-06-01

    A liquid Eu precursor, bis(normal-propyl-tetramethylcyclopentadienyl)europium has been synthesized. This precursor exists as a liquid at temperatures higher than 49 °C, has a moderately high vapor pressure, contains no oxygen in its molecular structure, and can be distilled to high purity. These properties make it ideal for doping using a chemical vapor or atomic layer deposition method, and provide a degree of control previously unavailable. As a precursor the Eu exists in the divalent valance state, however, once doped into GaN by organometallic vapor phase epitaxy, the room-temperature photoluminescence of the Eu-doped GaN exhibited the typical red emission due to the intra-4f shell transition of trivalent Eu. After variation of the growth temperature, it was found that divalent Eu could be stabilized in the GaN matrix. By tuning the Fermi level through donor doping, the ratio of Eu{sup 2+} to Eu{sup 3+} could be controlled. The change in valence state of the Eu ions was confirmed using X-ray absorption near-edge structure. - Highlights: • A liquid Eu precursor was synthesized and its properties were characterized. • Precursor has a low melting point and a moderately high vapor pressure. • Does not contain oxygen in its molecular structure. • Eu can changed its valance state when incorporated into GaN. • Valence state of Eu in GaN can be controlled by donor doping.

  9. Understanding of the structure activity relationship of PtPd bimetallic catalysts prepared by surface organometallic chemistry and ion exchange during the reaction of iso-butane with hydrogen

    KAUST Repository

    Alshareef, Reem Abdul aziz Hamed

    2018-04-25

    Well-defined silica supported bimetallic catalysts Pt100-x Pdx were prepared by Surface Organometallic Chemistry (SOMC) and Ionic-Exchange (IE) methods. For all investigated catalysts, iso-butane reaction with hydrogen under differential conditions led to the formation of methane and propane, n-butane, and traces of iso-butylene. The total reaction rate decreased with increasing the Pd loading for both catalysts series as a result of decreasing turnover rate of both isomerization and hydrogenolysis. In the case of Pt100-x Pdx(SOMC) catalysts, the experimental results in combination with DFT calculations suggested a selective coverage of Pt (1 0 0) surface by agglomerated Pd atoms like “islands”, assuming that each metal roughly keeps its intrinsic catalytic properties with relatively small electron transfer from Pt to Pd in the case of Pt-rich sample and from Pd to Pt in the case of Pd-rich sample. For the PtPd catalysts prepared by IE, the catalytic behavior could be explained by the formation of a surface alloy between Pt and Pd in the case of Pd-rich sample and by the segregation of a small amount of Pd on the surface in the case of Pt-rich sample, as demonstrated by TEM, EXAFS and DFT. The catalytic results were explained by a structure activity relationship based on the proposed mechanism of CH bond and CC bond activation and cleavage for iso-butane hydrogenolysis, isomerization, cracking and dehydrogenation.

  10. Study of the role of the ligands coordinated at the surface of pure Wuestite nanoparticles prepared following a room temperature organometallic method: Evidence of ferromagnetic - in shell- and antiferromagnetic - in core magnetic behaviors

    Energy Technology Data Exchange (ETDEWEB)

    Glaria, Arnaud [CNRS, LCC (Laboratoire de Chimie de Coordination), 205, route de Narbonne, F-31077 Toulouse (France); Universite de Toulouse, UPS, INPT, LCC, F-31077 Toulouse (France); Kahn, Myrtil L., E-mail: myrtil.kahn@lcc-toulouse.fr [CNRS, LCC (Laboratoire de Chimie de Coordination), 205, route de Narbonne, F-31077 Toulouse (France); Universite de Toulouse, UPS, INPT, LCC, F-31077 Toulouse (France); Chaudret, Bruno [CNRS, LCC (Laboratoire de Chimie de Coordination), 205, route de Narbonne, F-31077 Toulouse (France); Universite de Toulouse, UPS, INPT, LCC, F-31077 Toulouse (France); Lecante, Pierre; Casanove, Marie-Jose [CNRS, CEMES (Centre d' Elaboration des Materiaux et d' Etudes Structurales), 29 rue Jeanne Marvig, BP 4347, 31055 Toulouse Cedex (France); Barbara, Bernard, E-mail: bernard.barbara@grenoble.cnrs.fr [Institut Louis Neel, CNRS, 25 Av. des martyrs, BP 166, 38042 Grenoble Cedex 09 (France)

    2011-09-15

    Highlights: {yields} Pure Wuestite (Fe{sub 1-y}O) nanoparticles synthesized by organometallic chemistry. {yields} The influence of the surface ligands on the magnetic properties. {yields} Ferromagnetic core-antiferromagnetic shell magnetic nanoparticles. - Abstract: Wuestite particles (Fe{sub 1-y}O) are synthesized using controlled hydrolysis at room temperature of [Fe(N(SiMe{sub 3}){sub 2}){sub 2}] and stabilized by amine ligands. This method leads to 5 nm pure wuestite particles. This phase is clearly identified by transmission electron microscopy and wide angle X-ray scattering. Distortion in the crystallographic structure has been demonstrated. Particular attention is paid on the Fe(III) formation. Moreover, a combination of Moessbauer spectroscopy and SQuID measurements, revealed that the particles are composed of an antiferromagnetic core surrounded by a ferromagnetic shell. According to the Neel theory, the Fe(III) and Fe(II) ions present in the particles are ferromagnetically coupled and the proportion of Fe(III) ions varies from 3.9 to 7.1% as a function of the amine ligand.

  11. Synthesis and characterization of a liquid Eu precursor (EuCppm2) allowing for valence control of Eu ions doped into GaN by organometallic vapor phase epitaxy

    International Nuclear Information System (INIS)

    Mitchell, Brandon; Koizumi, Atsushi; Nunokawa, Takumi; Wakamatsu, Ryuta; Lee, Dong-gun; Saitoh, Yasuhisa; Timmerman, Dolf; Kuboshima, Yoshinori; Mogi, Takayuki; Higashi, Shintaro; Kikukawa, Kaoru; Ofuchi, Hironori; Honma, Tetsuo; Fujiwara, Yasufumi

    2017-01-01

    A liquid Eu precursor, bis(normal-propyl-tetramethylcyclopentadienyl)europium has been synthesized. This precursor exists as a liquid at temperatures higher than 49 °C, has a moderately high vapor pressure, contains no oxygen in its molecular structure, and can be distilled to high purity. These properties make it ideal for doping using a chemical vapor or atomic layer deposition method, and provide a degree of control previously unavailable. As a precursor the Eu exists in the divalent valance state, however, once doped into GaN by organometallic vapor phase epitaxy, the room-temperature photoluminescence of the Eu-doped GaN exhibited the typical red emission due to the intra-4f shell transition of trivalent Eu. After variation of the growth temperature, it was found that divalent Eu could be stabilized in the GaN matrix. By tuning the Fermi level through donor doping, the ratio of Eu 2+ to Eu 3+ could be controlled. The change in valence state of the Eu ions was confirmed using X-ray absorption near-edge structure. - Highlights: • A liquid Eu precursor was synthesized and its properties were characterized. • Precursor has a low melting point and a moderately high vapor pressure. • Does not contain oxygen in its molecular structure. • Eu can changed its valance state when incorporated into GaN. • Valence state of Eu in GaN can be controlled by donor doping.

  12. Characterization of B-H agostic compounds involved in the dehydrogenation of amine-boranes by group 4 metallocenes.

    Science.gov (United States)

    Zhu, Jingwen; Zins, Emilie-Laure; Alikhani, Mohammad Esmaïl

    2016-12-01

    For over a decade, amine-borane has been considered as a potential chemical hydrogen vector in the context of a search for cleaner energy sources. When catalyzed by organometallic complexes, the reaction mechanisms currently considered involve the formation of β-BH agostic intermediates. A thorough understanding of these intermediates may constitute a crucial step toward the identification of ideal catalysts. Topological approaches such as QTAIM and ELF revealed to be particularly suitable for the description of β-agostic interactions. When studying model catalysts, accurate theoretical calculations may be carried out. However, for a comparison with experimental data, calculations should also be carried out on large organo-metallic species, often including transition metals belonging to the second or the third row. In such a case, DFT methods are particularly attractive. Unfortunately, triple-ζ all electrons basis sets are not easily available for heavy transition metal elements. Thus, a subtle balance should be reached between the affordable level of calculations and the required accuracy of the electronic description of the systems. Herein we propose the use of B3LYP functional in combination with the LanL2DZ pseudopotential for the metal atom and 6-311++G(2d,2p) basis set for the other atoms, followed by a single point using the DKH2 relativistic Hamiltonian in combination with the B3LYP/DZP-DKH level, as a "minimum level of theory" leading to a consistent topological description of the interaction within the ELF and QTAIM framework, in the context of isolated (gas-phase) group 4 metallocene catalysts.

  13. Expedient multi-step synthesis of organometallic complexes of Tc and Re in high effective specific activity. A new platform for the production of molecular imaging and therapy agents.

    Science.gov (United States)

    Causey, Patrick W; Besanger, Travis R; Schaffer, Paul; Valliant, John F

    2008-09-15

    For over thirty years, instant labeling kits which involve no purification steps have been the only method used to prepare (99m)Tc radiopharmaceuticals for clinical studies. To address the limitations imposed by instant kits, which is hindering the development of molecularly targeted Tc- and Re-based imaging and therapy agents, a new strategy for the rapid multistep synthesis and purification of organometallic technetium-based molecular probes and corresponding rhenium-based therapeutic analogues was developed. Beginning with MO4(-) (M = (99m)Tc, (186/188)Re), the carbonyl precursor [M(CO)3(H2O)3](+) was synthesized in 3 min in quantitative yield in a microwave reactor. A dipicolyl ligand was added and the chelate complex was formed in high yield in 2 min using microwave heating at 150 degrees C. This was followed by a new purification strategy to remove unlabeled ligand which entailed using a copper resin/C18 solid phase extraction protocol giving the desired product in greater than 78% decay corrected yield (dcy). Conversion to the corresponding succinimidyl active ester was achieved following a 5 min microwave irradiation at 120 degrees C and C18 solid phase extraction purification in 60% dcy. A series of amides were prepared subsequently by microwave heating at 120 degrees C for 5 min producing the desired targets in greater than 86% dcy. The reported method represents a move away from traditional instant kits toward more versatile platform synthesis and purification technologies that are better suited for producing modern molecular imaging and therapy agents.

  14. Synthesis, spectroscopic characterization and in vitro cytotoxicities of new organometallic palladium complexes with biologically active β-diketones; Biological evaluation probing of the interaction mechanism with DNA/Protein and molecular docking

    Science.gov (United States)

    Karami, Kazem; Rafiee, Mina; Lighvan, Zohreh Mehri; Zakariazadeh, Mostafa; Faal, Ali Yeganeh; Esmaeili, Seyed-Alireza; Momtazi-Borojeni, Amir Abbas

    2018-02-01

    [Pd{(C,N)sbnd C6H4CH (CH3)NH}(CUR)] (3) and [Pd2{(C,N)sbnd C6H4CH(CH3)NH2}2(μ-N3CS2)] (4) [cur = 1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dion] novel organometallic complexes with biologically active ligands have been prepared and characterized via elemental analysis, multinuclear spectroscopic techniques (1H, and 13C NMR and IR) and their biological activities, including antitumoral activity and DNA-protein interactions have been investigated. Fluorescence spectroscopy used to study the interaction of the complexes with BSA have shown the affinity of the complexes for these proteins with relatively high binding constant values and the changed secondary structure of BSA in the presence of the complexes. In the meantime, spectroscopy and competitive titration have been applied to investigate the interaction of complexes with Warfarin and Ibuprofen site markers for sites I and II, respectively, with BSA. The results have suggested that the locations of complexes 3 and 4 are sites II and I, respectively. UV-Vis spectroscopy, emission titration and helix melting methods have been used to study the interaction of these complexes with CT-DNA, indicating that complexes are bound to CT-DNA by intercalation binding mode. In addition, good cytotoxic activity against MCF-7 (human breast cancer) and JURKAT (human leukemia) cell line has been shown by both complexes whereas low cytotoxicity was exerted on normal peripheral blood mononuclear cells.

  15. Which finite simple groups are unit groups?

    DEFF Research Database (Denmark)

    Davis, Christopher James; Occhipinti, Tommy

    2014-01-01

    We prove that if G is a finite simple group which is the unit group of a ring, then G is isomorphic to either (a) a cyclic group of order 2; (b) a cyclic group of prime order 2^k −1 for some k; or (c) a projective special linear group PSLn(F2) for some n ≥ 3. Moreover, these groups do all occur a...

  16. Organometallic derivatives of furan. LII. Synthesis of carbofunctional furylsilanes and their 1H, 13C, and 29Si NMR spectroscopic and quantum-chemical investigation

    International Nuclear Information System (INIS)

    Lukevits, E.; Erchak, N.P.; Castro, I.; Popelis, Yu.Yu.; Kozyrev, A.K.; Anoshkin, V.I.; Kovalev, I.F.

    1986-01-01

    Under the standard conditions for the synthesis of furan compounds it is possible to obtain the carbofunctional derivatives of silylated furfural with retention of the trimethylsilyl group in the ring. By NMR and CNDO/2 LCAO MO methods and also as a result of the investigation of the chemical characteristics of silylated furfural and its carbofunctional derivatives it was established that the introduction of a trimethylsilyl group at position 5 of the furan ring does not change the reactivity of the carbofunctional substituents at position 2. The electronic effects of the substituents are hardly transmitted through the furan ring at all. The effect of substituents in the carbofunctional furylsilanes on the electronic structure of the ring is additive

  17. Group Cohesion in Experiential Growth Groups

    Science.gov (United States)

    Steen, Sam; Vasserman-Stokes, Elaina; Vannatta, Rachel

    2014-01-01

    This article explores the effect of web-based journaling on changes in group cohesion within experiential growth groups. Master's students were divided into 2 groups. Both used a web-based platform to journal after each session; however, only 1 of the groups was able to read each other's journals. Quantitative data collected before and…

  18. Group Work Publication-1991.

    Science.gov (United States)

    Zimpfer, David G.

    1992-01-01

    Lists 21 new publications in group work, of which 9 are reviewed. Those discussed include publications on group counseling and psychotherapy, structured groups, support groups, psychodrama, and social group work. (Author/NB)

  19. Quantum isometry groups

    Indian Academy of Sciences (India)

    Jyotishman Bhowmick

    2015-11-07

    Nov 7, 2015 ... Classical. Quantum. Background. Compact Hausdorff space. Unital C∗ algebra. Gelfand-Naimark. Compact Group. Compact Quantum Group. Woronowicz. Group Action. Coaction. Woronowicz. Riemannian manifold. Spectral triple. Connes. Isometry group. Quantum Isometry Group. To be discussed.

  20. Group typicality, group loyalty and cognitive development.

    Science.gov (United States)

    Patterson, Meagan M

    2014-09-01

    Over the course of childhood, children's thinking about social groups changes in a variety of ways. Developmental Subjective Group Dynamics (DSGD) theory emphasizes children's understanding of the importance of conforming to group norms. Abrams et al.'s study, which uses DSGD theory as a framework, demonstrates the social cognitive skills underlying young elementary school children's thinking about group norms. Future research on children's thinking about groups and group norms should explore additional elements of this topic, including aspects of typicality beyond loyalty. © 2014 The British Psychological Society.

  1. AREVA group overview; Presentation du groupe AREVA

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2002-02-08

    This document presents the Group Areva, a world nuclear industry leader, from a financial holding company to an industrial group, operating in two businesses: the nuclear energy and the components. The structure and the market of the group are discussed, as the financial assets. (A.L.B.)

  2. Overgroups of root groups in classical groups

    CERN Document Server

    Aschbacher, Michael

    2016-01-01

    The author extends results of McLaughlin and Kantor on overgroups of long root subgroups and long root elements in finite classical groups. In particular he determines the maximal subgroups of this form. He also determines the maximal overgroups of short root subgroups in finite classical groups and the maximal overgroups in finite orthogonal groups of c-root subgroups.

  3. Interagency mechanical operations group numerical systems group

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1997-09-01

    This report consists of the minutes of the May 20-21, 1971 meeting of the Interagency Mechanical Operations Group (IMOG) Numerical Systems Group. This group looks at issues related to numerical control in the machining industry. Items discussed related to the use of CAD and CAM, EIA standards, data links, and numerical control.

  4. Site-Specific Bioconjugation of an Organometallic Electron Mediator to an Enzyme with Retained Photocatalytic Cofactor Regenerating Capacity and Enzymatic Activity

    Directory of Open Access Journals (Sweden)

    Sung In Lim

    2015-04-01

    Full Text Available Photosynthesis consists of a series of reactions catalyzed by redox enzymes to synthesize carbohydrates using solar energy. In order to take the advantage of solar energy, many researchers have investigated artificial photosynthesis systems mimicking the natural photosynthetic enzymatic redox reactions. These redox reactions usually require cofactors, which due to their high cost become a key issue when constructing an artificial photosynthesis system. Combining a photosensitizer and an Rh-based electron mediator (RhM has been shown to photocatalytically regenerate cofactors. However, maintaining the high concentration of cofactors available for efficient enzymatic reactions requires a high concentration of the expensive RhM; making this process cost prohibitive. We hypothesized that conjugation of an electron mediator to a redox enzyme will reduce the amount of electron mediators necessary for efficient enzymatic reactions. This is due to photocatalytically regenerated NAD(PH being readily available to a redox enzyme, when the local NAD(PH concentration near the enzyme becomes higher. However, conventional random conjugation of RhM to a redox enzyme will likely lead to a substantial loss of cofactor regenerating capacity and enzymatic activity. In order to avoid this issue, we investigated whether bioconjugation of RhM to a permissive site of a redox enzyme retains cofactor regenerating capacity and enzymatic activity. As a model system, a RhM was conjugated to a redox enzyme, formate dehydrogenase obtained from Thiobacillus sp. KNK65MA (TsFDH. A RhM-containing azide group was site-specifically conjugated to p-azidophenylalanine introduced to a permissive site of TsFDH via a bioorthogonal strain-promoted azide-alkyne cycloaddition and an appropriate linker. The TsFDH-RhM conjugate exhibited retained cofactor regenerating capacity and enzymatic activity.

  5. RF plasma deposition of thin Si{sub x}Ge{sub y}C{sub z}:H films using a combination of organometallic source materials

    Energy Technology Data Exchange (ETDEWEB)

    Rapiejko, C. [Institute for Materials Science and Engineering, Technical University of LodzLz Stefanowskiego 1, 90-924 Lodz (Poland); Gazicki-Lipman, M. [Institute for Materials Science and Engineering, Technical University of LodzLz Stefanowskiego 1, 90-924 Lodz (Poland)]. E-mail: gazickim@p.lodz.pl; Klimek, L. [Institute for Materials Science and Engineering, Technical University of LodzLz Stefanowskiego 1, 90-924 Lodz (Poland); Szymanowski, H. [Institute for Materials Science and Engineering, Technical University of LodzLz Stefanowskiego 1, 90-924 Lodz (Poland); Strojek, M. [Institute for Materials Science and Engineering, Technical University of LodzLz Stefanowskiego 1, 90-924 Lodz (Poland)

    2004-12-22

    Elements of the IV group of periodic table have been strongly present in the fast development of PECVD techniques for the last two decades at least. As a result, deposition technologies of such materials as a-Si:H, a-C:H, m{mu}-C:H or DLC have been successfully established. What has followed is an ever growing interest in binary systems of the A{sub x}(IV)B{sub y}(IV):H kind. One possible way to deposit such systems is to use organosilicon compounds (to deposit Si{sub x}C{sub y}:H films) or organogermanium compounds (to deposit Ge{sub x}C{sub y}:H films), as source substances. The present paper reports on a RF plasma deposition of a Si{sub x}Ge{sub y}C{sub z}:H ternary system, using a combination of organosilicon and organogermanium compounds. Thin Si/Ge/C films have been fabricated in a small volume (ca. 2 dm{sup 3}) parallel plate RF plasma reactor using, as a source material, a combination of tetramethylsilane (TMS) and tetramethylgermanium (TMG) vapours carried by argon. SEM investigations reveal a continuous compact character of the coatings and their uniform thickness. The elemental composition of the films has been studied using EDX analysis. The results of the analysis show that the elemental composition of the films can be controlled by both the TMG/TMS ratio of the initial mixture and the RF power input. Ellipsometric measurements show good homogeneity of these materials. Chemical bonding in the films has been studied using the FTIR technique. Bandgap calculations have been carried out using ellipsometric data and by applying both the Tauc law and the Moss approach.

  6. Theory of Lie groups

    CERN Document Server

    Chevalley, Claude

    2018-01-01

    The standard text on the subject for many years, this introductory treatment covers classical linear groups, topological groups, manifolds, analytic groups, differential calculus of Cartan, and compact Lie groups and their representations. 1946 edition.

  7. White light emission and second harmonic generation from secondary group participation (SGP) in a coordination network.

    Science.gov (United States)

    He, Jun; Zeller, Matthias; Hunter, Allen D; Xu, Zhengtao

    2012-01-25

    We describe a white emitting coordination network solid that can be conveniently applied as a thin film onto a commercial UV-LED lamp for practical white lighting applications. The solid state material was discovered in an exercise of exploring molecular building blocks equipped with secondary groups for fine-tuning the structures and properties of coordination nets. Specifically, CH(3)SCH(2)CH(2)S- and (S)-CH(3)(OH)CHCH(2)S- (2-hydroxylpropyl) were each attached as secondary groups to the 2,5- positions of 1,4-benzenedicarboxylic acid (bdc), and the resultant molecules (L1 and L2, respectively) were crystallized with Pb(II) into the topologically similar 3D nets of PbL1 and PbL2, both consisting of interlinked Pb-carboxyl chains. While the CH(3)S- groups in PbL1 are not bonded to the Pb(II) centers, the hydroxy groups in PbL2 participate in coordinating to Pb(II) and thus modify the bonding features around the Pb(II), but only to a slight and subtle degree (e.g., Pb-O distances 2.941-3.116 Å). Interestingly, the subtle change in structure significantly impacts the properties, i.e., while the photoluminescence of PbL1 is yellowish green, PbL2 features bright white emission. Also, the homochiral side group in PbL2 imparts significant second harmonic generation, in spite of its seemingly weak association with the main framework (the NLO-phore). In a broad perspective, this work showcases the idea of secondary group participation (SGP) in the construction of coordination networks, an idea that parallels that of hemilabile ligands in organometallics and points to an effective strategy in developing advanced functions in solid state framework materials. © 2011 American Chemical Society

  8. Introduction to Sporadic Groups

    Directory of Open Access Journals (Sweden)

    Luis J. Boya

    2011-01-01

    Full Text Available This is an introduction to finite simple groups, in particular sporadic groups, intended for physicists. After a short review of group theory, we enumerate the 1+1+16=18 families of finite simple groups, as an introduction to the sporadic groups. These are described next, in three levels of increasing complexity, plus the six isolated ''pariah'' groups. The (old five Mathieu groups make up the first, smallest order level. The seven groups related to the Leech lattice, including the three Conway groups, constitute the second level. The third and highest level contains the Monster group M, plus seven other related groups. Next a brief mention is made of the remaining six pariah groups, thus completing the 5+7+8+6=26 sporadic groups. The review ends up with a brief discussion of a few of physical applications of finite groups in physics, including a couple of recent examples which use sporadic groups.

  9. Group Work: How to Use Groups Effectively

    Science.gov (United States)

    Burke, Alison

    2011-01-01

    Many students cringe and groan when told that they will need to work in a group. However, group work has been found to be good for students and good for teachers. Employers want college graduates to have developed teamwork skills. Additionally, students who participate in collaborative learning get better grades, are more satisfied with their…

  10. Free Boolean Topological Groups

    Directory of Open Access Journals (Sweden)

    Ol’ga Sipacheva

    2015-11-01

    Full Text Available Known and new results on free Boolean topological groups are collected. An account of the properties that these groups share with free or free Abelian topological groups and properties specific to free Boolean groups is given. Special emphasis is placed on the application of set-theoretic methods to the study of Boolean topological groups.

  11. Small Group Research

    Science.gov (United States)

    McGrath, Joseph E.

    1978-01-01

    Summarizes research on small group processes by giving a comprehensive account of the types of variables primarily studied in the laboratory. These include group structure, group composition, group size, and group relations. Considers effects of power, leadership, conformity to social norms, and role relationships. (Author/AV)

  12. Geometric group theory

    CERN Document Server

    Druţu, Cornelia

    2018-01-01

    The key idea in geometric group theory is to study infinite groups by endowing them with a metric and treating them as geometric spaces. This applies to many groups naturally appearing in topology, geometry, and algebra, such as fundamental groups of manifolds, groups of matrices with integer coefficients, etc. The primary focus of this book is to cover the foundations of geometric group theory, including coarse topology, ultralimits and asymptotic cones, hyperbolic groups, isoperimetric inequalities, growth of groups, amenability, Kazhdan's Property (T) and the Haagerup property, as well as their characterizations in terms of group actions on median spaces and spaces with walls. The book contains proofs of several fundamental results of geometric group theory, such as Gromov's theorem on groups of polynomial growth, Tits's alternative, Stallings's theorem on ends of groups, Dunwoody's accessibility theorem, the Mostow Rigidity Theorem, and quasiisometric rigidity theorems of Tukia and Schwartz. This is the f...

  13. Profinite graphs and groups

    CERN Document Server

    Ribes, Luis

    2017-01-01

    This book offers a detailed introduction to graph theoretic methods in profinite groups and applications to abstract groups. It is the first to provide a comprehensive treatment of the subject. The author begins by carefully developing relevant notions in topology, profinite groups and homology, including free products of profinite groups, cohomological methods in profinite groups, and fixed points of automorphisms of free pro-p groups. The final part of the book is dedicated to applications of the profinite theory to abstract groups, with sections on finitely generated subgroups of free groups, separability conditions in free and amalgamated products, and algorithms in free groups and finite monoids. Profinite Graphs and Groups will appeal to students and researchers interested in profinite groups, geometric group theory, graphs and connections with the theory of formal languages. A complete reference on the subject, the book includes historical and bibliographical notes as well as a discussion of open quest...

  14. Group purchasing: an overview.

    Science.gov (United States)

    Wetrich, J G

    1987-07-01

    The various types and operational methods of purchasing groups are described, and evaluation of groups is discussed. Since group purchasing is increasing in popularity as a method of controlling drug costs, community and hospital pharmacy managers may need to evaluate various groups to determine the appropriateness of their services. Groups are categorized as independent, system based, or alliance or association based. Instead of "purchasing," some groups develop contracts for hospitals, which then purchase directly from the vendor. Aside from this basic difference between groups that purchase and groups that contract, comparisons among groups are difficult because of the wide variation in sizes and services. Competition developing from diversification among groups has led to "super groups," formed from local and regional groups. In evaluating groups, advantages and disadvantages germane to accomplishing the member's objectives must be considered. To ensure a group's success, members must be committed and support the group's philosophies; hospital pharmacists must help to establish a strong formulary system. To select vendors, groups should develop formal qualification and selection criteria and should not base a decision solely on price. The method of solicitation (bidding or negotiating), as well as the role of the prime vendor, should be studied. Legal implications of group purchasing, especially in the areas of administrative fees and drug diversion, must also be considered. The most advantageous group for each organization will include members with common missions and will be able to implement strategies for future success.

  15. Thermodynamic analysis of volatile organometallic fission products

    International Nuclear Information System (INIS)

    Auxier II, J.D.; Hall, H.L.; Cressy, Derek

    2016-01-01

    The ability to perform rapid separations in a post nuclear weapon detonation scenario is an important aspect of national security. In the past, separations of fission products have been performed using solvent extraction, precipitation, etc. The focus of this work is to explore the feasibility of using thermochromatography, a technique largely employed in superheavy element chemistry, to expedite the separation of fission products from fuel components. A series of fission product complexes were synthesized and the thermodynamic parameters were measured using TGA/DSC methods. Once measured, these parameters were used to predict their retention times using thermochromatography. (author)

  16. Physical organic studies of organometallic reactions

    Energy Technology Data Exchange (ETDEWEB)

    Bergman, Robert G. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Univ. of California, Berkeley, CA (United States). Dept. of Chemistry

    1981-01-01

    The mechanisms of reactions of organotransition metal complexes have only begun to be understood in detail during the last ten years. The complementary interaction of techniques and concepts developed earlier in studies of organic reaction mechanisms, with those commonly used in inorganic chetnistry, has played a crucial role in helping to elucidate organor.1etall.ic reaction mechanisms. A few systems in which this interaction has proved especially fruitful are discussed in this article.

  17. Advances in organometallic and protein chemistry

    OpenAIRE

    Ryan, C. P.

    2010-01-01

    This thesis describes two areas of scientific investigation. The first contains a description of a study on the synthesis of biotinylated and fluoresceinylated bromomaleimide based reagents. Upon synthesis, the ability of these reagents to add reversibly to cysteine containing proteins is investigated by a series of LCMS experiments. A single point mutant (L111C) of the SH2 domain of the Grb2 adaptor protein, containing a single cysteine residue, is chosen as an ideal protein for study. Thus ...

  18. Highly Potent Antibacterial Organometallic Peptide Conjugates

    NARCIS (Netherlands)

    Albada, Bauke; Metzler-Nolte, Nils

    2017-01-01

    ConspectusResistance of pathogenic bacteria against currently marketed antibiotics is again increasing. To meet the societal need for effective cures, scientists are faced with the challenge of developing more potent but equally bacteria-specific drugs. Currently, most efforts are directed toward

  19. Organo-metallic structures for spintronic applications

    NARCIS (Netherlands)

    Tiba, M.V.

    2005-01-01

    The revolution in (semi)conducting organic materials has been one of the highlights in physics over the past decade. Molecular and polymeric thin films are projected to be used as active elements in a wide range of electronic and optoelectronic applications. Among the main driving forces for such

  20. Novel organometallic aromatic polyester based on ferrocene

    Institute of Scientific and Technical Information of China (English)

    Wei

    2010-01-01

    A novel polyester containing ferrocenyl was prepared by low-temperature interface polycondensation of 1,1'-ferrocenedi-carboxylic acid chloride with 4-(4-hydroxyphenyl)-2,3-phthalazin-l-one(DHPZ), which is a twisted non-coplanar heterocyclic bisphenol-like monomer. The newly generated polymer was evaluated based on characterization of its solubility, viscosity measurements, elemental analysis, FTIR spectroscopy, differential scanning calorimetric and thermogravimetric studies.

  1. Organometallic Half-Sandwich Iridium Anticancer Complexes

    Czech Academy of Sciences Publication Activity Database

    Liu, Z.; Habtemariam, A.; Pizarro, A.M.; Fletcher, S.A.; Kisová, Anna; Vrána, Oldřich; Salassa, L.; Bruijnincx, P.C.A.; Clarkson, G.J.; Brabec, Viktor; Sadler, P. J.

    2011-01-01

    Roč. 54, č. 8 (2011), 3011-3026 ISSN 0022-2623 R&D Projects: GA ČR(CZ) GPP303/11/P047; GA ČR(CZ) GAP301/10/0598 Keywords : RUTHENIUM(II) ARENE COMPLEXES * CANCER-CELL CYTOTOXICITY * DNA-BINDING PROPERTIES Subject RIV: BO - Biophysics Impact factor: 5.248, year: 2011

  2. Stereochemistry of organometallic and inorganic compounds

    CERN Document Server

    2012-01-01

    The authors of this fourth volume in the series have reviewed the making and breaking of chemical bonds in a sophisticated manner. In particular, new pressures brought about by environmental concerns, larger demands for the medical and pharmaceutical sectors and economics of the market place are forcing us into demanding greater stereochemical control and better product yields for chemical reactions capable of producing useful products. The chapters are written by leading experts in this area and give excellent overviews of the strengths and weaknesses of the various methodologies.In C

  3. Ordered groups and infinite permutation groups

    CERN Document Server

    1996-01-01

    The subjects of ordered groups and of infinite permutation groups have long en­ joyed a symbiotic relationship. Although the two subjects come from very different sources, they have in certain ways come together, and each has derived considerable benefit from the other. My own personal contact with this interaction began in 1961. I had done Ph. D. work on sequence convergence in totally ordered groups under the direction of Paul Conrad. In the process, I had encountered "pseudo-convergent" sequences in an ordered group G, which are like Cauchy sequences, except that the differences be­ tween terms of large index approach not 0 but a convex subgroup G of G. If G is normal, then such sequences are conveniently described as Cauchy sequences in the quotient ordered group GIG. If G is not normal, of course GIG has no group structure, though it is still a totally ordered set. The best that can be said is that the elements of G permute GIG in an order-preserving fashion. In independent investigations around that t...

  4. ALIGNMENTS OF GROUP GALAXIES WITH NEIGHBORING GROUPS

    International Nuclear Information System (INIS)

    Wang Yougang; Chen Xuelei; Park, Changbom; Yang Xiaohu; Choi, Yun-Young

    2009-01-01

    Using a sample of galaxy groups found in the Sloan Digital Sky Survey Data Release 4, we measure the following four types of alignment signals: (1) the alignment between the distributions of the satellites of each group relative to the direction of the nearest neighbor group (NNG); (2) the alignment between the major axis direction of the central galaxy of the host group (HG) and the direction of the NNG; (3) the alignment between the major axes of the central galaxies of the HG and the NNG; and (4) the alignment between the major axes of the satellites of the HG and the direction of the NNG. We find strong signal of alignment between the satellite distribution and the orientation of central galaxy relative to the direction of the NNG, even when the NNG is located beyond 3r vir of the host group. The major axis of the central galaxy of the HG is aligned with the direction of the NNG. The alignment signals are more prominent for groups that are more massive and with early-type central galaxies. We also find that there is a preference for the two major axes of the central galaxies of the HG and NNG to be parallel for the system with both early central galaxies, however, not for the systems with both late-type central galaxies. For the orientation of satellite galaxies, we do not find any significant alignment signals relative to the direction of the NNG. From these four types of alignment measurements, we conclude that the large-scale environment traced by the nearby group affects primarily the shape of the host dark matter halo, and hence also affects the distribution of satellite galaxies and the orientation of central galaxies. In addition, the NNG directly affects the distribution of the satellite galaxies by inducing asymmetric alignment signals, and the NNG at very small separation may also contribute a second-order impact on the orientation of the central galaxy in the HG.

  5. Citizens' action group

    International Nuclear Information System (INIS)

    Andritzky, W.

    1978-01-01

    For the first empirical study of citizens' action groups 331 such groups were consulted. Important information was collected on the following aspects of these groups: their self-image, areas and forms of activities, objectives and their extent, how long the group has existed, successes and failures and their forms of organisation. (orig.) [de

  6. Development of novel strategy for the synthesis of organometallic compounds usable as protein ligands: application to the human cyclophilin hCyp-18; Developpement de ligands de proteines par assemblage combinatoire autour d'un coeur de rhenium{sup V}: application a la cyclophiline hCyp-18

    Energy Technology Data Exchange (ETDEWEB)

    Clavaud, C

    2006-02-15

    This thesis describes a new strategy for the development of bioactive organometallic compounds, basing on the combinatorial assembly of sub-chemical libraries (A and B) independent but complementary and able to coordinate a metallic heart M to form A-M-B complex potential ligands of biomolecules. The coordination of metals, well adapted to the production of molecular variety is usually used in medicinal chemistry, in diagnostic and therapeutic nuclear medicine. Among the useful elements, the rhenium and the technetium are metals of choice for the development of the assembly strategy because of their chemical and radiochemical properties and of the structure analogy of their complexes. This strategy was validated in vitro. The protein chosen for this purpose was the cyclophilin hCyp-18. (N.C.)

  7. Communication in Organizational Groups

    OpenAIRE

    Monica RADU

    2007-01-01

    Organizational group can be defined as some persons between who exist interactive connections (functional, communication, affective, normative type). Classification of these groups can reflect the dimension, type of relationship or type of rules included. Organizational groups and their influence over the individual efficiency and the efficiency of the entire group are interconnected. Spontaneous roles in these groups sustain the structure of the relationship, and the personality of each indi...

  8. [Social crisis, spontaneous groups and group order].

    Science.gov (United States)

    Edelman, Lucila; Kordon, Diana

    2002-12-01

    Argentina has gone through very difficult times during the last years and, in particularly, new kinds of social practices have emerged in order to cope with the crisis. This situation demands and urges a new type of reflection upon the double role of groups, as tools to transform reality and as a way to elaborate those processes regarding subjectivity. In this paper we analyse some topics regarding the groupal field (considering spontaneous groups as well as groupal devices that allow to elaborate the crisis). We consider social bond to be the condition of possibility for the existence of the psyche and of time continuity, and that it also makes possible personal and social elaboration of trauma, crisis and social catastrophe. We develop some aspects of an specific device (the reflection group), which we have already depicted in another moment, showing it's usefulness to cope with social crisis and to promote the subjective elaboration of crisis.

  9. Introduction to topological groups

    CERN Document Server

    Husain, Taqdir

    2018-01-01

    Concise treatment covers semitopological groups, locally compact groups, Harr measure, and duality theory and some of its applications. The volume concludes with a chapter that introduces Banach algebras. 1966 edition.

  10. MSUD Family Support Group

    Science.gov (United States)

    ... The Treatment Of MSUD The MSUD Family Support Group has provided funds to Buck Institute for its ... of the membership of the MSUD Family Support Group, research for improved treatments and potential cure was ...

  11. Nilpotent -local finite groups

    Science.gov (United States)

    Cantarero, José; Scherer, Jérôme; Viruel, Antonio

    2014-10-01

    We provide characterizations of -nilpotency for fusion systems and -local finite groups that are inspired by known result for finite groups. In particular, we generalize criteria by Atiyah, Brunetti, Frobenius, Quillen, Stammbach and Tate.

  12. UPIN Group File

    Data.gov (United States)

    U.S. Department of Health & Human Services — The Group Unique Physician Identifier Number (UPIN) File is the business entity file that contains the group practice UPIN and descriptive information. It does NOT...

  13. Group Decision Process Support

    DEFF Research Database (Denmark)

    Gøtze, John; Hijikata, Masao

    1997-01-01

    Introducing the notion of Group Decision Process Support Systems (GDPSS) to traditional decision-support theorists.......Introducing the notion of Group Decision Process Support Systems (GDPSS) to traditional decision-support theorists....

  14. Gestalt Interactional Groups

    Science.gov (United States)

    Harman, Robert L.; Franklin, Richard W.

    1975-01-01

    Gestalt therapy in groups is not limited to individual work in the presence of an audience. Describes several ways to involve gestalt groups interactionally. Interactions described focus on learning by doing and discovering, and are noninterpretive. (Author/EJT)

  15. Group B streptococcus - pregnancy

    Science.gov (United States)

    ... medlineplus.gov/ency/patientinstructions/000511.htm Group B streptococcus - pregnancy To use the sharing features on this page, please enable JavaScript. Group B streptococcus (GBS) is a type of bacteria that some ...

  16. Multicultural group work

    DEFF Research Database (Denmark)

    Hansen, Annette Skovsted

    2014-01-01

    Motivation for the activity I use this strategy for forming groups to ensure diverse/multicultural groups that combine a variety of different strengths and resources based on student's academic, disciplinary, linguistic, national, personal and work backgrounds.......Motivation for the activity I use this strategy for forming groups to ensure diverse/multicultural groups that combine a variety of different strengths and resources based on student's academic, disciplinary, linguistic, national, personal and work backgrounds....

  17. The Areva Group; Le groupe Areva

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2004-08-01

    This document provides information on the Areva Group, a world nuclear industry leader, offering solutions for nuclear power generation, electricity transmission and distribution and interconnect systems to the telecommunications, computer and automotive markets. It presents successively the front end division including the group business lines involved in producing nuclear fuel for electric power generation (uranium mining, concentration, conversion and enrichment and nuclear fuel fabrication); the reactors and services division which designs and builds PWR, BWR and research reactors; the back end division which encompasses the management of the fuel that has been used in nuclear power plants; the transmission and distribution division which provides products, systems and services to the medium and high voltage energy markets; the connectors division which designs and manufactures electrical, electronic and optical connectors, flexible micro circuitry and interconnection systems. Areva is implemented in Europe, north and south america, africa and asia-pacific. (A.L.B.)

  18. Groups, combinatorics and geometry

    CERN Document Server

    Ivanov, A A; Saxl, J

    2003-01-01

    Over the past 20 years, the theory of groups in particular simplegroups, finite and algebraic has influenced a number of diverseareas of mathematics. Such areas include topics where groups have beentraditionally applied, such as algebraic combinatorics, finitegeometries, Galois theory and permutation groups, as well as severalmore recent developments.

  19. Working Group 7 Summary

    Energy Technology Data Exchange (ETDEWEB)

    Nagaitsev S.; Berg J.

    2012-06-10

    The primary subject of working group 7 at the 2012 Advanced Accelerator Concepts Workshop was muon accelerators for a muon collider or neutrino factory. Additionally, this working group included topics that did not fit well into other working groups. Two subjects were discussed by more than one speaker: lattices to create a perfectly integrable nonlinear lattice, and a Penning trap to create antihydrogen.

  20. AREVA group overview

    International Nuclear Information System (INIS)

    2002-01-01

    This document presents the Group Areva, a world nuclear industry leader, from a financial holding company to an industrial group, operating in two businesses: the nuclear energy and the components. The structure and the market of the group are discussed, as the financial assets. (A.L.B.)

  1. Group IB Organometallic Chemistry XXXIII: ArAuPPh3, ArAu(CNR), (ArAu)n and Ar4Cu2Au2 compounds in which the aryl group contains 2-MeO, 2,6-(MeO)2, 2-Me2N, 2-Me2NCH2 and (S)- or (R)-2-Me2NCHMe substituents as potential ligands

    NARCIS (Netherlands)

    Koten, G. van; Schaap, C.A.; Jastrzebski, J.T.B.H.; Noltes, J.G.

    1980-01-01

    The synthesis and structural characterization by }1{H NMR and }1{}9{}7{Au Mossbauer spectroscopy as well as by chiral labelling of the built-in ligands of three different types of arylgold(I) compounds is described.}1{}9{}7{Au Mossbauer data revealed that the benzyl- and arylgold(I)

  2. Group Psychotherapy in Denmark.

    Science.gov (United States)

    Jørgensen, Lars Bo; Thygesen, Bente; Aagaard, Søren

    2015-10-01

    This is a short article on the history and training standards in the Institute of Group Analysis in Copenhagen (IGA-CPH). We describe theoretical orientations and influences in the long-term training program and new initiatives, like courses in mentalization-based group treatment and a dynamic short-term group therapy course, as well as research in group psychotherapy in Denmark. Some group analytic initiatives in relation to social issues and social welfare are presented, as well as initiatives concerning the school system and unemployment.

  3. Group theory I essentials

    CERN Document Server

    Milewski, Emil G

    2012-01-01

    REA's Essentials provide quick and easy access to critical information in a variety of different fields, ranging from the most basic to the most advanced. As its name implies, these concise, comprehensive study guides summarize the essentials of the field covered. Essentials are helpful when preparing for exams, doing homework and will remain a lasting reference source for students, teachers, and professionals. Group Theory I includes sets and mapping, groupoids and semi-groups, groups, isomorphisms and homomorphisms, cyclic groups, the Sylow theorems, and finite p-groups.

  4. Lectures on Chevalley groups

    CERN Document Server

    Steinberg, Robert

    2016-01-01

    Robert Steinberg's Lectures on Chevalley Groups were delivered and written during the author's sabbatical visit to Yale University in the 1967-1968 academic year. The work presents the status of the theory of Chevalley groups as it was in the mid-1960s. Much of this material was instrumental in many areas of mathematics, in particular in the theory of algebraic groups and in the subsequent classification of finite groups. This posthumous edition incorporates additions and corrections prepared by the author during his retirement, including a new introductory chapter. A bibliography and editorial notes have also been added. This is a great unsurpassed introduction to the subject of Chevalley groups that influenced generations of mathematicians. I would recommend it to anybody whose interests include group theory. -Efim Zelmanov, University of California, San Diego Robert Steinberg's lectures on Chevalley groups were given at Yale University in 1967. The notes for the lectures contain a wonderful exposition of ...

  5. E-groups training

    CERN Multimedia

    HR Department

    2012-01-01

    There will be an e-groups training course on 16 March 2012 which will cover the main e-groups functionalities i.e.: creating and managing e-groups, difference between static and dynamic e-groups, configuring posting restrictions and archives, examples of where e-groups can be used in daily work. Even if you have already worked with e-groups, this may be a good opportunity to learn about the best practices and security related recommendations when using e-groups. You can find more details as well as enrolment form for the training (it’s free) here. The number of places is limited, so enrolling early is recommended.   Technical Training Tel. 72844

  6. Group Psychotherapy in Italy.

    Science.gov (United States)

    Giannone, Francesca; Giordano, Cecilia; Di Blasi, Maria

    2015-10-01

    This article describes the history and the prevailing orientations of group psychotherapy in Italy (psychoanalytically oriented, psychodrama, CBT groups) and particularly group analysis. Provided free of charge by the Italian health system, group psychotherapy is growing, but its expansion is patchy. The main pathways of Italian training in the different group psychotherapy orientations are also presented. Clinical-theoretical elaboration on self development, psychopathology related to group experiences, and the methodological attention paid to objectives and methods in different clinical groups are issues related to group therapy in Italy. Difficulties in the relationship between research and clinical practice are discussed, as well as the empirical research network that tries to bridge the gap between research and clinical work in group psychotherapy. The economic crisis in Italy has led to massive cuts in health care and to an increasing demand for some forms of psychological treatment. For these reasons, and because of its positive cost-benefit ratio, group psychotherapy is now considered an important tool in the national health care system to expand the clinical response to different forms of psychological distress.

  7. Geometric group theory

    CERN Document Server

    Bestvina, Mladen; Vogtmann, Karen

    2014-01-01

    Geometric group theory refers to the study of discrete groups using tools from topology, geometry, dynamics and analysis. The field is evolving very rapidly and the present volume provides an introduction to and overview of various topics which have played critical roles in this evolution. The book contains lecture notes from courses given at the Park City Math Institute on Geometric Group Theory. The institute consists of a set of intensive short courses offered by leaders in the field, designed to introduce students to exciting, current research in mathematics. These lectures do not duplicate standard courses available elsewhere. The courses begin at an introductory level suitable for graduate students and lead up to currently active topics of research. The articles in this volume include introductions to CAT(0) cube complexes and groups, to modern small cancellation theory, to isometry groups of general CAT(0) spaces, and a discussion of nilpotent genus in the context of mapping class groups and CAT(0) gro...

  8. CLASSIFICATION OF CRIMINAL GROUPS

    OpenAIRE

    Natalia Romanova

    2013-01-01

    New types of criminal groups are emerging in modern society.  These types have their special criminal subculture. The research objective is to develop new parameters of classification of modern criminal groups, create a new typology of criminal groups and identify some features of their subculture. Research methodology is based on the system approach that includes using the method of analysis of documentary sources (materials of a criminal case), method of conversations with themembers of the...

  9. Group therapy for adolescents

    OpenAIRE

    Nada Hribar

    2001-01-01

    The group included adolescents from secondary school and some students. The group had weekly sessions or twice on mounth. The adolescents had varied simptoms: depressive, anxiety, psychosomatic disorders, learning difficulties, cunduct problems. All of adolescents were common on many problems in social interactions. The goal of therapeutic work were: to increase assertiveness skills and to reduce the anxious in social situations. The adolescents in group raised a self-esteem and developed som...

  10. Presentations of groups

    CERN Document Server

    Johnson, D L

    1997-01-01

    The aim of this book is to provide an introduction to combinatorial group theory. Any reader who has completed first courses in linear algebra, group theory and ring theory will find this book accessible. The emphasis is on computational techniques but rigorous proofs of all theorems are supplied. This new edition has been revised throughout, including new exercises and an additional chapter on proving that certain groups are infinite.

  11. Group-Server Queues

    OpenAIRE

    Li, Quan-Lin; Ma, Jing-Yu; Xie, Mingzhou; Xia, Li

    2017-01-01

    By analyzing energy-efficient management of data centers, this paper proposes and develops a class of interesting {\\it Group-Server Queues}, and establishes two representative group-server queues through loss networks and impatient customers, respectively. Furthermore, such two group-server queues are given model descriptions and necessary interpretation. Also, simple mathematical discussion is provided, and simulations are made to study the expected queue lengths, the expected sojourn times ...

  12. Environmental groups in politics

    International Nuclear Information System (INIS)

    Lowe, P.; Goyder, J.

    1983-01-01

    The subject is covered in chapters, entitled: introduction; (Part I) the environmental movement (environmental groups and the attentive public; the episodic development of the environmental movement; the underlying values of environmentalism; the roots of environmental concern; the social limits to growth; elite manipulation of values); the organisation of environmental groups; environmental groups in national politics; environmental groups in local politics; (Part II) the Henley Society; Friends of the Earth; the National Trust; the Royal Society for Nature Conservation; the European Environmental Bureau. (U.K.)

  13. Complex quantum groups

    International Nuclear Information System (INIS)

    Drabant, B.; Schlieker, M.

    1993-01-01

    The complex quantum groups are constructed. They are q-deformations of the real Lie groups which are obtained as the complex groups corresponding to the Lie algebras of type A n-1 , B n , C n . Following the ideas of Faddeev, Reshetikhin and Takhtajan Hopf algebras of regular functionals U R for these complexified quantum groups are constructed. One has thus in particular found a construction scheme for the q-Lorentz algebra to be identified as U(sl q (2,C). (orig.)

  14. Explosive Technology Group

    Data.gov (United States)

    Federal Laboratory Consortium — The Explosive Technology Group (ETG) provides diverse technical expertise and an agile, integrated approach to solve complex challenges for all classes of energetic...

  15. Study Groups in Denmark

    DEFF Research Database (Denmark)

    Hjorth, Poul G.

    2007-01-01

    Since 1998 European Study Groups have been held in Denmark, and Danish companies from LEGO and NOVO to very small high-tech firms have participated. I briefly describe the history, the organisation and the format of the Danish Study Groups, and highlight a few problem solutions.......Since 1998 European Study Groups have been held in Denmark, and Danish companies from LEGO and NOVO to very small high-tech firms have participated. I briefly describe the history, the organisation and the format of the Danish Study Groups, and highlight a few problem solutions....

  16. Lie groups for pedestrians

    CERN Document Server

    Lipkin, Harry J

    2002-01-01

    According to the author of this concise, high-level study, physicists often shy away from group theory, perhaps because they are unsure which parts of the subject belong to the physicist and which belong to the mathematician. However, it is possible for physicists to understand and use many techniques which have a group theoretical basis without necessarily understanding all of group theory. This book is designed to familiarize physicists with those techniques. Specifically, the author aims to show how the well-known methods of angular momentum algebra can be extended to treat other Lie group

  17. The normal holonomy group

    International Nuclear Information System (INIS)

    Olmos, C.

    1990-05-01

    The restricted holonomy group of a Riemannian manifold is a compact Lie group and its representation on the tangent space is a product of irreducible representations and a trivial one. Each one of the non-trivial factors is either an orthogonal representation of a connected compact Lie group which acts transitively on the unit sphere or it is the isotropy representation of a single Riemannian symmetric space of rank ≥ 2. We prove that, all these properties are also true for the representation on the normal space of the restricted normal holonomy group of any submanifold of a space of constant curvature. 4 refs

  18. High-Permeability Magnetic Polymer Additives for Lightweight Electromagnetic Shielding

    Science.gov (United States)

    2015-08-01

    incorporation) or chemical incorporation as part of the polymer chain backbone or linked as pendant groups.13 Many transition-metal organometallic...10.1002/9781119951438. 15. Poli R. Open-shell organometallics as a bridge between Werner-type and low-valent organometallic complexes: the effect

  19. Trajectory grouping structure

    Directory of Open Access Journals (Sweden)

    Maike Buchin

    2015-03-01

    Full Text Available The collective motion of a set of moving entities like people, birds, or other animals, is characterized by groups arising, merging, splitting, and ending. Given the trajectories of these entities, we define and model a structure that captures all of such changes using the Reeb graph, a concept from topology. The trajectory grouping structure has three natural parameters that allow more global views of the data in group size, group duration, and entity inter-distance. We prove complexity bounds on the maximum number of maximal groups that can be present, and give algorithms to compute the grouping structure efficiently. We also study how the trajectory grouping structure can be made robust, that is, how brief interruptions of groups can be disregarded in the global structure, adding a notion of persistence to the structure. Furthermore, we showcase the results of experiments using data generated by the NetLogo flocking model and from the Starkey project. The Starkey data describe the movement of elk, deer, and cattle. Although there is no ground truth for the grouping structure in this data, the experiments show that the trajectory grouping structure is plausible and has the desired effects when changing the essential parameters. Our research provides the first complete study of trajectory group evolvement, including combinatorial,algorithmic, and experimental results.

  20. Computational methods working group

    International Nuclear Information System (INIS)

    Gabriel, T.A.

    1997-09-01

    During the Cold Moderator Workshop several working groups were established including one to discuss calculational methods. The charge for this working group was to identify problems in theory, data, program execution, etc., and to suggest solutions considering both deterministic and stochastic methods including acceleration procedures.

  1. GroupFinder

    DEFF Research Database (Denmark)

    Bøgh, Kenneth Sejdenfaden; Skovsgaard, Anders; Jensen, Christian S.

    2013-01-01

    . Such groups are relevant to users who wish to conveniently explore several options before making a decision such as to purchase a specific product. Specifically, we demonstrate a practical proposal for finding top-k PoI groups in response to a query. We show how problem parameter settings can be mapped...

  2. Toleration, Groups, and Multiculturalism

    DEFF Research Database (Denmark)

    Lægaard, Sune

    2014-01-01

    have the ability to interfere with the group’s activities, an object of dislike or disapproval, an agent enjoying non-interference or a moral patient. This means that 'toleration of groups' can mean quite different things depending on the exact meaning of 'group' in relation to each component...

  3. Group B Strep Infection

    Science.gov (United States)

    ... IV) to kill the germs. If you take antibiotics while you’re in labor, the chances are very good that your baby won’t get this infection. What if my baby has group B strep? If your baby gets group B strep, he or she will be treated with IV antibiotics to kill the bacteria. Your baby will stay ...

  4. Group Process as Drama.

    Science.gov (United States)

    McLeod, John

    1984-01-01

    Suggests that drama, as well as training or therapy, may be employed as a useful research and practice paradigm in working with small groups. The implications of this view for group development as a whole, and for member and leader participation, are explored. (JAC)

  5. Group Work. Research Brief

    Science.gov (United States)

    Walker, Karen

    2010-01-01

    According to Johnson and Johnson, group work helps increase student retention and satisfaction, develops strong oral communication and social skills, as well as higher self-esteem (University of Minnesota, n.d.). Group work, when planned and implemented deliberately and thoughtfully helps students develop cognitive and leadership skills as well as…

  6. Physically detached 'compact groups'

    Science.gov (United States)

    Hernquist, Lars; Katz, Neal; Weinberg, David H.

    1995-01-01

    A small fraction of galaxies appear to reside in dense compact groups, whose inferred crossing times are much shorter than a Hubble time. These short crossing times have led to considerable disagreement among researchers attempting to deduce the dynamical state of these systems. In this paper, we suggest that many of the observed groups are not physically bound but are chance projections of galaxies well separated along the line of sight. Unlike earlier similar proposals, ours does not require that the galaxies in the compact group be members of a more diffuse, but physically bound entity. The probability of physically separated galaxies projecting into an apparent compact group is nonnegligible if most galaxies are distributed in thin filaments. We illustrate this general point with a specific example: a simulation of a cold dark matter universe, in which hydrodynamic effects are included to identify galaxies. The simulated galaxy distribution is filamentary and end-on views of these filaments produce apparent galaxy associations that have sizes and velocity dispersions similar to those of observed compact groups. The frequency of such projections is sufficient, in principle, to explain the observed space density of groups in the Hickson catalog. We discuss the implications of our proposal for the formation and evolution of groups and elliptical galaxies. The proposal can be tested by using redshift-independent distance estimators to measure the line-of-sight spatial extent of nearby compact groups.

  7. Introduction to quantum groups

    International Nuclear Information System (INIS)

    Sudbery, A.

    1996-01-01

    These pedagogical lectures contain some motivation for the study of quantum groups; a definition of ''quasi triangular Hopf algebra'' with explanations of all the concepts required to build it up; descriptions of quantised universal enveloping algebras and the quantum double; and an account of quantised function algebras and the action of quantum groups on quantum spaces. (author)

  8. Beam dynamics group summary

    International Nuclear Information System (INIS)

    Peggs, S.

    1994-01-01

    This paper summarizes the activities of the beam dynamics working group of the LHC Collective Effects Workshop that was held in Montreux in 1994. It reviews the presentations that were made to the group, the discussions that ensued, and the consensuses that evolved

  9. Our Deming Users' Group.

    Science.gov (United States)

    Dinklocker, Christina

    1992-01-01

    After training in the Total Quality Management concept, a suburban Ohio school district created a Deming Users' Group to link agencies, individuals, and ideas. The group has facilitated ongoing school/business collaboration, networking among individuals from diverse school systems, mentoring and cooperative learning activities, and resource…

  10. Asymmetry within social groups

    DEFF Research Database (Denmark)

    Barker, Jessie; Loope, Kevin J.; Reeve, H. Kern

    2016-01-01

    Social animals vary in their ability to compete with group members over shared resources and also vary in their cooperative efforts to produce these resources. Competition among groups can promote within-group cooperation, but many existing models of intergroup cooperation do not explicitly account...... of two roles, with relative competitive efficiency and the number of individuals varying between roles. Players in each role make simultaneous, coevolving decisions. The model predicts that although intergroup competition increases cooperative contributions to group resources by both roles, contributions...... are predominantly from individuals in the less competitively efficient role, whereas individuals in the more competitively efficient role generally gain the larger share of these resources. When asymmetry in relative competitive efficiency is greater, a group's per capita cooperation (averaged across both roles...

  11. Supervision and group dynamics

    DEFF Research Database (Denmark)

    Hansen, Søren; Jensen, Lars Peter

    2004-01-01

     An important aspect of the problem based and project organized study at Aalborg University is the supervision of the project groups. At the basic education (first year) it is stated in the curriculum that part of the supervisors' job is to deal with group dynamics. This is due to the experience...... that many students are having difficulties with practical issues such as collaboration, communication, and project management. Most supervisors either ignore this demand, because they do not find it important or they find it frustrating, because they do not know, how to supervise group dynamics...... as well as at Aalborg University. The first visible result has been participating supervisors telling us that the course has inspired them to try supervising group dynamics in the future. This paper will explore some aspects of supervising group dynamics as well as, how to develop the Aalborg model...

  12. Summary of group discussions

    International Nuclear Information System (INIS)

    2009-01-01

    A key aspect of the workshop was the interaction and exchange of ideas and information among the 40 participants. To facilitate this activity the workshop participants were divided into five discussions groups. These groups reviewed selected subjects and reported back to the main body with summaries of their considerations. Over the 3 days the 5 discussion groups were requested to focus on the following subjects: the characteristics and capabilities of 'good' organisations; how to ensure sufficient resources; how to ensure competence within the organisation; how to demonstrate organisational suitability; the regulatory oversight processes - including their strengths and weaknesses. A list of the related questions that were provided to the discussion groups can be found in Appendix 3. Also included in Appendix 3 are copies of the slides the groups prepared that summarised their considerations

  13. Natural analogue working group

    International Nuclear Information System (INIS)

    Come, B.; Chapman, N.

    1986-01-01

    A Natural Analogue Working Group was established by the Commission of the European Communities in 1985. The purpose of this group is to bring together modellers with earth scientists and others, so that maximum benefit can be obtained from natural analogue studies with a view to safe geological disposal of radioactive waste. The first meeting of this group was held in Brussels from November 5 to 7, 1985. The discussions mainly concerned the identification of the modellers' needs and of the earth scientists' capacity to provide for them. Following the debates, a written statement was produced by the Group; this document forms the core of the present Report. Notes and outlines of many of the presentations made are grouped in four appendixes. The valuable contribution of all those involved in the meeting is gratefully acknowledged

  14. Ordered groups and topology

    CERN Document Server

    Clay, Adam

    2016-01-01

    This book deals with the connections between topology and ordered groups. It begins with a self-contained introduction to orderable groups and from there explores the interactions between orderability and objects in low-dimensional topology, such as knot theory, braid groups, and 3-manifolds, as well as groups of homeomorphisms and other topological structures. The book also addresses recent applications of orderability in the studies of codimension-one foliations and Heegaard-Floer homology. The use of topological methods in proving algebraic results is another feature of the book. The book was written to serve both as a textbook for graduate students, containing many exercises, and as a reference for researchers in topology, algebra, and dynamical systems. A basic background in group theory and topology is the only prerequisite for the reader.

  15. Group prenatal care.

    Science.gov (United States)

    Mazzoni, Sara E; Carter, Ebony B

    2017-06-01

    Patients participating in group prenatal care gather together with women of similar gestational ages and 2 providers who cofacilitate an educational session after a brief medical assessment. The model was first described in the 1990s by a midwife for low-risk patients and is now practiced by midwives and physicians for both low-risk patients and some high-risk patients, such as those with diabetes. The majority of literature on group prenatal care uses CenteringPregnancy, the most popular model. The first randomized controlled trial of CenteringPregnancy showed that it reduced the risk of preterm birth in low-risk women. However, recent meta-analyses have shown similar rates of preterm birth, low birthweight, and neonatal intensive care unit admission between women participating in group prenatal care and individual prenatal care. There may be subgroups, such as African Americans, who benefit from this type of prenatal care with significantly lower rates of preterm birth. Group prenatal care seems to result in increased patient satisfaction and knowledge and use of postpartum family planning as well as improved weight gain parameters. The literature is inconclusive regarding breast-feeding, stress, depression, and positive health behaviors, although it is theorized that group prenatal care positively affects these outcomes. It is unclear whether group prenatal care results in cost savings, although it may in large-volume practices if each group consists of approximately 8-10 women. Group prenatal care requires a significant paradigm shift. It can be difficult to implement and sustain. More randomized trials are needed to ascertain the true benefits of the model, best practices for implementation, and subgroups who may benefit most from this innovative way to provide prenatal care. In short, group prenatal care is an innovative and promising model with comparable pregnancy outcomes to individual prenatal care in the general population and improved outcomes in some

  16. Critical groups - basic concepts

    International Nuclear Information System (INIS)

    Carter, M.W.

    1992-01-01

    The potential exposure pathways from the land application site to man are presented. It is emphasised that the critical group is not necessary the population group closest to the source. It could be the group impact by the most significant pathways(s). Only by assessing the importance of each of these pathways and then combining them can a proper choice of critical group be made. It would be wrong to select a critical group on the basis that it seems the most probable one, before the pathways have been properly assessed. A calculation in Carter (1983) suggested that for the operating mine site, the annual doses to an Aboriginal person, a service worker and a local housewife, were all about the same and were in the range 0.1 to 0.2 mSv per year. Thus it may be that for the land application area, the critical group turns out to be non-Aboriginal rather than the expected Aboriginal group. 6 refs., 3 figs

  17. Groups - Modular Mathematics Series

    CERN Document Server

    Jordan, David

    1994-01-01

    This text provides an introduction to group theory with an emphasis on clear examples. The authors present groups as naturally occurring structures arising from symmetry in geometrical figures and other mathematical objects. Written in a 'user-friendly' style, where new ideas are always motivated before being fully introduced, the text will help readers to gain confidence and skill in handling group theory notation before progressing on to applying it in complex situations. An ideal companion to any first or second year course on the topic.

  18. Introduction to quantum groups

    CERN Document Server

    Chaichian, Masud

    1996-01-01

    In the past decade there has been an extemely rapid growth in the interest and development of quantum group theory.This book provides students and researchers with a practical introduction to the principal ideas of quantum groups theory and its applications to quantum mechanical and modern field theory problems. It begins with a review of, and introduction to, the mathematical aspects of quantum deformation of classical groups, Lie algebras and related objects (algebras of functions on spaces, differential and integral calculi). In the subsequent chapters the richness of mathematical structure

  19. Group key management

    Energy Technology Data Exchange (ETDEWEB)

    Dunigan, T.; Cao, C.

    1997-08-01

    This report describes an architecture and implementation for doing group key management over a data communications network. The architecture describes a protocol for establishing a shared encryption key among an authenticated and authorized collection of network entities. Group access requires one or more authorization certificates. The implementation includes a simple public key and certificate infrastructure. Multicast is used for some of the key management messages. An application programming interface multiplexes key management and user application messages. An implementation using the new IP security protocols is postulated. The architecture is compared with other group key management proposals, and the performance and the limitations of the implementation are described.

  20. Group therapy for adolescents

    Directory of Open Access Journals (Sweden)

    Nada Hribar

    2001-03-01

    Full Text Available The group included adolescents from secondary school and some students. The group had weekly sessions or twice on mounth. The adolescents had varied simptoms: depressive, anxiety, psychosomatic disorders, learning difficulties, cunduct problems. All of adolescents were common on many problems in social interactions. The goal of therapeutic work were: to increase assertiveness skills and to reduce the anxious in social situations. The adolescents in group raised a self-esteem and developed some assertiveness skills: eye contact" and effective communication skills, persistence, refusing and requesting, giving and receiving critism, etc. The methods of work and techniques were based on principles of cognitive-behaviour therapy.

  1. Matrix groups for undergraduates

    CERN Document Server

    Tapp, Kristopher

    2005-01-01

    Matrix groups touch an enormous spectrum of the mathematical arena. This textbook brings them into the undergraduate curriculum. It makes an excellent one-semester course for students familiar with linear and abstract algebra and prepares them for a graduate course on Lie groups. Matrix Groups for Undergraduates is concrete and example-driven, with geometric motivation and rigorous proofs. The story begins and ends with the rotations of a globe. In between, the author combines rigor and intuition to describe basic objects of Lie theory: Lie algebras, matrix exponentiation, Lie brackets, and maximal tori.

  2. UnitedHealth Group

    Science.gov (United States)

    UnitedHealth Group provides accessible and affordable services, improved quality of care, coordinated health care efforts, and a supportive environment for shared decision making between patients and their physicians.

  3. Homogeneous group, research, institution

    Directory of Open Access Journals (Sweden)

    Francesca Natascia Vasta

    2014-09-01

    Full Text Available The work outlines the complex connection among empiric research, therapeutic programs and host institution. It is considered the current research state in Italy. Italian research field is analyzed and critic data are outlined: lack of results regarding both the therapeutic processes and the effectiveness of eating disorders group analytic treatment. The work investigates on an eating disorders homogeneous group, led into an eating disorder outpatient service. First we present the methodological steps the research is based on including the strong connection among theory and clinical tools. Secondly clinical tools are described and the results commented. Finally, our results suggest the necessity of validating some more specifical hypothesis: verifying the relationship between clinical improvement (sense of exclusion and painful emotions reduction and specific group therapeutic processes; verifying the relationship between depressive feelings, relapses and transition trough a more differentiated groupal field.Keywords: Homogeneous group; Eating disorders; Institutional field; Therapeutic outcome

  4. Color transparency study group

    International Nuclear Information System (INIS)

    Appel, J.A.; Pordes, S.; Botts, J.; Bunce, G.; Farrar, G.

    1990-01-01

    The group studied the relatively new notion of color transparency, discussed present experimental evidence for the effect, and explored several ideas for future experiments. This write-up summarizes these discussions. 11 refs., 1 fig

  5. Generalized quantum groups

    International Nuclear Information System (INIS)

    Leivo, H.P.

    1992-01-01

    The algebraic approach to quantum groups is generalized to include what may be called an anyonic symmetry, reflecting the appearance of phases more general than ±1 under transposition. (author). 6 refs

  6. Groups – Additive Notation

    Directory of Open Access Journals (Sweden)

    Coghetto Roland

    2015-06-01

    Full Text Available We translate the articles covering group theory already available in the Mizar Mathematical Library from multiplicative into additive notation. We adapt the works of Wojciech A. Trybulec [41, 42, 43] and Artur Korniłowicz [25].

  7. Groups – Additive Notation

    OpenAIRE

    Coghetto Roland

    2015-01-01

    We translate the articles covering group theory already available in the Mizar Mathematical Library from multiplicative into additive notation. We adapt the works of Wojciech A. Trybulec [41, 42, 43] and Artur Korniłowicz [25].

  8. Creativity and group innovation

    NARCIS (Netherlands)

    Nijstad, B.A.; de Dreu, C.K.W.

    2002-01-01

    Comments on M. West's article regarding the validity of an integrative model of creativity and innovation implementation in work groups. Variables affecting the level of team innovation; Relationship between predictors and team innovation; Promotion of constructive conflict.

  9. Truck shovel users group

    Energy Technology Data Exchange (ETDEWEB)

    Thomas, J. [Surface Mining Association for Research and Technology, AB (Canada)

    2008-07-01

    The Truck Shovel Users Group (TSUG) was developed as part of the Surface Mining Association for Research and Technology (SMART), an association of companies that meet to coordinate technology developments for the mining industry. The TSUG meet regularly to discuss equipment upgrades, maintenance planning systems, and repair techniques. The group strives to maximize the value of its assets through increased safety, equipment performance and productivity. This presentation provided administrative details about the TSUG including contact details and admission costs. It was concluded that members of the group must be employed by companies that use heavy mining equipment, and must also be willing to host meetings, make presentations, and support the common goals of the group. tabs., figs.

  10. The theory of groups

    CERN Document Server

    Hall, Marshall

    2018-01-01

    This 1959 text offers an unsurpassed resource for learning and reviewing the basics of a fundamental and ever-expanding area. "This remarkable book undoubtedly will become a standard text on group theory." - American Scientist.

  11. Radiation Protection Group

    CERN Document Server

    2006-01-01

    The Radioactive Waste Section of the Radiation Protection Group wishes to inform you that the Radioactive Waste Treatment Centre will be closed on the afternoon of Tuesday 19 December 2006. Thank-you for your understanding.

  12. The Military Cooperation Group

    National Research Council Canada - National Science Library

    Renzi, Jr, Alfred E

    2006-01-01

    .... This thesis will describe a structure to assist with both those needs. The premise is that an expanded and improved network of US Military Groups is the weapon of choice for the war on terror, and beyond...

  13. Introduction to group theory

    Directory of Open Access Journals (Sweden)

    Canals B.

    2012-03-01

    Full Text Available This chapter is a concise mathematical introduction into the algebra of groups. It is build up in the way that definitions are followed by propositions and proofs. The concepts and the terminology introduced here will serve as a basis for the following chapters that deal with group theory in the stricter sense and its application to problems in physics. The mathematical prerequisites are at the bachelor level.1

  14. Groups, rings, modules

    CERN Document Server

    Auslander, Maurice

    2014-01-01

    This classic monograph is geared toward advanced undergraduates and graduate students. The treatment presupposes some familiarity with sets, groups, rings, and vector spaces. The four-part approach begins with examinations of sets and maps, monoids and groups, categories, and rings. The second part explores unique factorization domains, general module theory, semisimple rings and modules, and Artinian rings. Part three's topics include localization and tensor products, principal ideal domains, and applications of fundamental theorem. The fourth and final part covers algebraic field extensions

  15. Focus Group Guide

    Science.gov (United States)

    2017-07-01

    home for the arrival of school- aged children. TIP: Do not conduct focus groups in a command conference room in the command group area. Doing so...organizational effectiveness and equal opportunity/equal employment opportunity/fair treatment and sexual assault and response factors (which are listed on the... Sexual Harassment (C) Sex Harassment Retaliation (D) Discrimination - Sex (E) Discrimination - Race (F) Discrimination - Disability (G

  16. Choice Shifts in Groups

    OpenAIRE

    Kfir Eliaz; Debraj Ray

    2004-01-01

    The phenomenon of "choice shifts" in group decision-making is fairly ubiquitous in the social psychology literature. Faced with a choice between a ``safe" and ``risky" decision, group members appear to move to one extreme or the other, relative to the choices each member might have made on her own. Both risky and cautious shifts have been identified in different situations. This paper demonstrates that from an individual decision-making perspective, choice shifts may be viewed as a systematic...

  17. Group Capability Model

    Science.gov (United States)

    Olejarski, Michael; Appleton, Amy; Deltorchio, Stephen

    2009-01-01

    The Group Capability Model (GCM) is a software tool that allows an organization, from first line management to senior executive, to monitor and track the health (capability) of various groups in performing their contractual obligations. GCM calculates a Group Capability Index (GCI) by comparing actual head counts, certifications, and/or skills within a group. The model can also be used to simulate the effects of employee usage, training, and attrition on the GCI. A universal tool and common method was required due to the high risk of losing skills necessary to complete the Space Shuttle Program and meet the needs of the Constellation Program. During this transition from one space vehicle to another, the uncertainty among the critical skilled workforce is high and attrition has the potential to be unmanageable. GCM allows managers to establish requirements for their group in the form of head counts, certification requirements, or skills requirements. GCM then calculates a Group Capability Index (GCI), where a score of 1 indicates that the group is at the appropriate level; anything less than 1 indicates a potential for improvement. This shows the health of a group, both currently and over time. GCM accepts as input head count, certification needs, critical needs, competency needs, and competency critical needs. In addition, team members are categorized by years of experience, percentage of contribution, ex-members and their skills, availability, function, and in-work requirements. Outputs are several reports, including actual vs. required head count, actual vs. required certificates, CGI change over time (by month), and more. The program stores historical data for summary and historical reporting, which is done via an Excel spreadsheet that is color-coded to show health statistics at a glance. GCM has provided the Shuttle Ground Processing team with a quantifiable, repeatable approach to assessing and managing the skills in their organization. They now have a common

  18. Parton Distributions Working Group

    International Nuclear Information System (INIS)

    Barbaro, L. de; Keller, S. A.; Kuhlmann, S.; Schellman, H.; Tung, W.-K.

    2000-01-01

    This report summarizes the activities of the Parton Distributions Working Group of the QCD and Weak Boson Physics workshop held in preparation for Run II at the Fermilab Tevatron. The main focus of this working group was to investigate the different issues associated with the development of quantitative tools to estimate parton distribution functions uncertainties. In the conclusion, the authors introduce a Manifesto that describes an optimal method for reporting data

  19. Renormalization Group Theory

    International Nuclear Information System (INIS)

    Stephens, C. R.

    2006-01-01

    In this article I give a brief account of the development of research in the Renormalization Group in Mexico, paying particular attention to novel conceptual and technical developments associated with the tool itself, rather than applications of standard Renormalization Group techniques. Some highlights include the development of new methods for understanding and analysing two extreme regimes of great interest in quantum field theory -- the ''high temperature'' regime and the Regge regime

  20. Independents' group posts loss

    International Nuclear Information System (INIS)

    Sanders, V.; Price, R.B.

    1992-01-01

    Low oil gas prices and special charges caused the group of 50 U.S. independent producers Oil and Gas Journal tracks to post a combined loss in first half 1992. The group logged a net loss of $53 million in the first half compared with net earnings of $354 million in first half 1991, when higher oil prices during the Persian Gulf crisis buoyed earnings in spite of crude oil and natural gas production declines. The combined loss in the first half follows a 45% drop in the group's earnings in 1991 and compares with the OGJ group of integrated oil companies whose first half 1992 income fell 47% from the prior year. Special charges, generally related to asset writedowns, accounted for most of the almost $560 million in losses posted by about the third of the group. Nerco Oil and Gas Inc., Vancouver, Wash., alone accounted for almost half that total with charges related to an asset writedown of $238 million in the first quarter. Despite the poor first half performance, the outlook is bright for sharply improved group earnings in the second half, assuming reasonably healthy oil and gas prices and increased production resulting from acquisitions and in response to those prices

  1. Assessment of Group Preferences and Group Uncertainty for Decision Making

    Science.gov (United States)

    1976-06-01

    the individ- uals. decision making , group judgments should be preferred to individual judgments if obtaining group judgments costs more. -26- -YI IV... decision making group . IV. A. 3. Aggregation using conjugate distribution. Arvther procedure for combining indivi(jai probability judgments into a group...statisticized group group decision making group judgment subjective probability Delphi method expected utility nominal group 20. ABSTRACT (Continue on

  2. Cyclic Soft Groups and Their Applications on Groups

    Directory of Open Access Journals (Sweden)

    Hacı Aktaş

    2014-01-01

    Full Text Available In crisp environment the notions of order of group and cyclic group are well known due to many applications. In this paper, we introduce order of the soft groups, power of the soft sets, power of the soft groups, and cyclic soft group on a group. We also investigate the relationship between cyclic soft groups and classical groups.

  3. Coordinating Group report

    International Nuclear Information System (INIS)

    1994-01-01

    In December 1992, western governors and four federal agencies established a Federal Advisory Committee to Develop On-site Innovative Technologies for Environmental Restoration and Waste Management (the DOIT Committee). The purpose of the Committee is to advise the federal government on ways to improve waste cleanup technology development and the cleanup of federal sites in the West. The Committee directed in January 1993 that information be collected from a wide range of potential stakeholders and that innovative technology candidate projects be identified, organized, set in motion, and evaluated to test new partnerships, regulatory approaches, and technologies which will lead to improve site cleanup. Five working groups were organized, one to develop broad project selection and evaluation criteria and four to focus on specific contaminant problems. A Coordinating Group comprised of working group spokesmen and federal and state representatives, was set up to plan and organize the routine functioning of these working groups. The working groups were charged with defining particular contaminant problems; identifying shortcomings in technology development, stakeholder involvement, regulatory review, and commercialization which impede the resolution of these problems; and identifying candidate sites or technologies which could serve as regional innovative demonstration projects to test new approaches to overcome the shortcomings. This report from the Coordinating Group to the DOIT Committee highlights the key findings and opportunities uncovered by these fact-finding working groups. It provides a basis from which recommendations from the DOIT Committee to the federal government can be made. It also includes observations from two public roundtables, one on commercialization and another on regulatory and institutional barriers impeding technology development and cleanup

  4. Linear algebraic groups

    CERN Document Server

    Springer, T A

    1998-01-01

    "[The first] ten chapters...are an efficient, accessible, and self-contained introduction to affine algebraic groups over an algebraically closed field. The author includes exercises and the book is certainly usable by graduate students as a text or for self-study...the author [has a] student-friendly style… [The following] seven chapters... would also be a good introduction to rationality issues for algebraic groups. A number of results from the literature…appear for the first time in a text." –Mathematical Reviews (Review of the Second Edition) "This book is a completely new version of the first edition. The aim of the old book was to present the theory of linear algebraic groups over an algebraically closed field. Reading that book, many people entered the research field of linear algebraic groups. The present book has a wider scope. Its aim is to treat the theory of linear algebraic groups over arbitrary fields. Again, the author keeps the treatment of prerequisites self-contained. The material of t...

  5. Summary report: injection group

    International Nuclear Information System (INIS)

    Simpson, J.; Ankenbrandt, C.; Brown, B.

    1984-01-01

    The injector group attempted to define and address several problem areas related to the SSC injector as defined in the Reference Design Study (RDS). It also considered the topic of machine utilization, particularly the question of test beam requirements. Details of the work are given in individually contributed papers, but the general concerns and consensus of the group are presented within this note. The group recognized that the injector as outlined in the RDS was developed primarily for costing estimates. As such, it was not necessarily well optimized from the standpoint of insuring the required beam properties for the SSC. On the other hand, considering the extraordinary short time in which the RDS was prepared, it is an impressive document and a good basis from which to work. Because the documented SSC performance goals are ambitious, the group sought an injector solution which would more likely guarantee that SSC performance not be limited by its injectors. As will be seen, this leads to a somewhat different solution than that described in the RDS. Furthermore, it is the consensus of the group that the new, conservative approach represents only a modest cost increase of the overall project well worth the confidence gained and the risks avoided

  6. Matrix groups for undergraduates

    CERN Document Server

    Tapp, Kristopher

    2016-01-01

    Matrix groups touch an enormous spectrum of the mathematical arena. This textbook brings them into the undergraduate curriculum. It makes an excellent one-semester course for students familiar with linear and abstract algebra and prepares them for a graduate course on Lie groups. Matrix Groups for Undergraduates is concrete and example-driven, with geometric motivation and rigorous proofs. The story begins and ends with the rotations of a globe. In between, the author combines rigor and intuition to describe the basic objects of Lie theory: Lie algebras, matrix exponentiation, Lie brackets, maximal tori, homogeneous spaces, and roots. This second edition includes two new chapters that allow for an easier transition to the general theory of Lie groups. From reviews of the First Edition: This book could be used as an excellent textbook for a one semester course at university and it will prepare students for a graduate course on Lie groups, Lie algebras, etc. … The book combines an intuitive style of writing w...

  7. Frailty Across Age Groups.

    Science.gov (United States)

    Pérez-Zepeda, M U; Ávila-Funes, J A; Gutiérrez-Robledo, L M; García-Peña, C

    2016-01-01

    The implementation of an aging biomarker into clinical practice is under debate. The Frailty Index is a model of deficit accumulation and has shown to accurately capture frailty in older adults, thus bridging biological with clinical practice. To describe the association of socio-demographic characteristics and the Frailty Index in different age groups (from 20 to over one hundred years) in a representative sample of Mexican subjects. Cross-sectional analysis. Nationwide and population-representative survey. Adults 20-years and older interviewed during the last Mexican National Health and Nutrition Survey (2012). A 30-item Frailty Index following standard construction was developed. Multi-level regression models were performed to test the associations of the Frailty Index with multiple socio-demographic characteristics across age groups. A total of 29,504 subjects was analyzed. The 30-item Frailty Index showed the highest scores in the older age groups, especially in women. No sociodemographic variable was associated with the Frailty Index in all the studied age groups. However, employment, economic income, and smoking status were more consistently found across age groups. To our knowledge, this is the first report describing the Frailty Index in a representative large sample of a Latin American country. Increasing age and gender were closely associated with a higher score.

  8. Illinois Wind Workers Group

    Energy Technology Data Exchange (ETDEWEB)

    David G. Loomis

    2012-05-28

    The Illinois Wind Working Group (IWWG) was founded in 2006 with about 15 members. It has grown to over 200 members today representing all aspects of the wind industry across the State of Illinois. In 2008, the IWWG developed a strategic plan to give direction to the group and its activities. The strategic plan identifies ways to address critical market barriers to the further penetration of wind. The key to addressing these market barriers is public education and outreach. Since Illinois has a restructured electricity market, utilities no longer have a strong control over the addition of new capacity within the state. Instead, market acceptance depends on willing landowners to lease land and willing county officials to site wind farms. Many times these groups are uninformed about the benefits of wind energy and unfamiliar with the process. Therefore, many of the project objectives focus on conferences, forum, databases and research that will allow these stakeholders to make well-educated decisions.

  9. Focus group discussions

    CERN Document Server

    Hennink, Monique M

    2014-01-01

    The Understanding Research series focuses on the process of writing up social research. The series is broken down into three categories: Understanding Statistics, Understanding Measurement, and Understanding Qualitative Research. The books provide researchers with guides to understanding, writing, and evaluating social research. Each volume demonstrates how research should be represented, including how to write up the methodology as well as the research findings. Each volume also reviews how to appropriately evaluate published research. Focus Group Discussions addresses the challenges associated with conducting and writing focus group research. It provides detailed guidance on the practical and theoretical considerations in conducting focus group discussions including: designing the discussion guide, recruiting participants, training a field team, moderating techniques and ethical considerations. Monique Hennink describes how a methodology section is read and evaluated by others, such as journal reviewers or ...

  10. Bell, group and tangle

    International Nuclear Information System (INIS)

    Solomon, A. I.

    2010-01-01

    The 'Bell' of the title refers to bipartite Bell states, and their extensions to, for example, tripartite systems. The 'Group' of the title is the Braid Group in its various representations; while 'Tangle' refers to the property of entanglement which is present in both of these scenarios. The objective of this note is to explore the relation between Quantum Entanglement and Topological Links, and to show that the use of the language of entanglement in both cases is more than one of linguistic analogy.

  11. A Quantum Groups Primer

    Science.gov (United States)

    Majid, Shahn

    2002-05-01

    Here is a self-contained introduction to quantum groups as algebraic objects. Based on the author's lecture notes for the Part III pure mathematics course at Cambridge University, the book is suitable as a primary text for graduate courses in quantum groups or supplementary reading for modern courses in advanced algebra. The material assumes knowledge of basic and linear algebra. Some familiarity with semisimple Lie algebras would also be helpful. The volume is a primer for mathematicians but it will also be useful for mathematical physicists.

  12. Introduction to quantum groups

    International Nuclear Information System (INIS)

    Monteiro, Marco A.R.

    1994-01-01

    An elementary introduction to quantum groups is presented. The example of Universal Enveloping Algebra of deformed SU(2) is analysed in detail. It is also discussed systems made up of bosonic q-oscillators at finite temperature within the formalism of Thermo-Field Dynamics. (author). 39 refs

  13. Lectures on Lie groups

    CERN Document Server

    Hsiang, Wu-Yi

    2017-01-01

    This volume consists of nine lectures on selected topics of Lie group theory. We provide the readers a concise introduction as well as a comprehensive 'tour of revisiting' the remarkable achievements of S Lie, W Killing, É Cartan and H Weyl on structural and classification theory of semi-simple Lie groups, Lie algebras and their representations; and also the wonderful duet of Cartans' theory on Lie groups and symmetric spaces.With the benefit of retrospective hindsight, mainly inspired by the outstanding contribution of H Weyl in the special case of compact connected Lie groups, we develop the above theory via a route quite different from the original methods engaged by most other books.We begin our revisiting with the compact theory which is much simpler than that of the general semi-simple Lie theory; mainly due to the well fittings between the Frobenius-Schur character theory and the maximal tori theorem of É Cartan together with Weyl's reduction (cf. Lectures 1-4). It is a wonderful reality of the Lie t...

  14. Gluten Intolerance Group

    Science.gov (United States)

    ... Intolerance Group (GIG), the industry leader in the certification of gluten-free products and food services, announced today that a wide ... of gluten-free products. One of the top certification programs in the world, GFCO inspects products and manufacturing facilities for gluten, in an effort ...

  15. With the Radiobiology Group

    CERN Multimedia

    CERN PhotoLab

    1980-01-01

    The Radiobiology Group carries out experiments to study the effect of radiation on living cells. The photo shows the apparatus for growing broad beans which have been irradiated by 250 GeV protons. The roots are immersed in a tank of running water (CERN Weekly Bulletin 26 January 1981 and Annual Report 1980 p. 160). Karen Panman, Marilena Streit-Bianchi, Roger Paris.

  16. Group control of elevators

    Energy Technology Data Exchange (ETDEWEB)

    Umeda, Yasukazu; Hikita, Shiro; Tuji, Sintaro (Mitsubishi Electric Corp., Tokyo (Japan))

    1988-09-05

    Items to be evaluated in the group control of elevators, and a typical control system are described. A new system in which the fuzzy rule base is employed is introduced together with the configuration. The items to be evaluated are waiting time, riding time, accuracy of forecasting, energy saving, and ease of usage. The everage waiting time of less than 20 seconds with less than 3% waiting rate of more than 60 seconds is accepted as a satisfactory service condition. There are many conflicting matters in group-controlling, and the study for the controlling must deal with the optimization of multi-purpose problems. The standards for group-control evaluation differ according to building structures and the tastes of users, and an important problem is where to give emphasis of the evaluation. The TRAFFIC PATTERN LEARNING METHOD has been applied in the system for careful control to accommodate the traffic. No specific function is provided for the evaluation, but the call allocation is made by fuzzy rule-base. The configuration of a new group-control system is introduced. 7 references, 7 figures, 1 table.

  17. Moral motivation within groups

    NARCIS (Netherlands)

    Lee, Romy van der

    2013-01-01

    Morality is of particular importance to people: People want to be considered moral and want to belong to moral groups. Consequently, morality judgments have the potential to motivate individuals to behave in ways that are considered to be ‘good’. In the current dissertation, I examined the impact of

  18. Smoot Group Cosmology

    Science.gov (United States)

    the Universe About Cosmology Planck Satellite Launched Cosmology Videos Professor George Smoot's group conducts research on the early universe (cosmology) using the Cosmic Microwave Background radiation (CMB science goals regarding cosmology. George Smoot named Director of Korean Cosmology Institute The GRB

  19. Groups and Symmetry

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education; Volume 4; Issue 10. Groups and Symmetry: A Guide to Discovering Mathematics. Geetha Venkataraman. Book Review Volume 4 Issue 10 October 1999 pp 91-92. Fulltext. Click here to view fulltext PDF. Permanent link:

  20. Public interest group involvement

    International Nuclear Information System (INIS)

    Shelley, P.

    1986-01-01

    Including public interest groups in the siting process for nuclear waste disposal facilities is of great importance. Controversial sitings often result in litigation, but involving public interest groups early in the process will lessen the change of this. They act as surrogates for the general public and should be considered as members of the team. It is important to remember though, that all public interest groups are different. In choosing public panels such as public advisory committees, members should not be chosen on the basis of some quota. Opposition groups should not be excluded. Also, it is important to put the right person in charge of the committee. The goal of public involvement is to identify the conflicts. This must be done during the decision process, because conflicts must be known before they can be eliminated. Regarding litigation, it is important to ease through and around legal battles. If the siting process has integrity and a good faith effort has been shown, the court should uphold the effort. In addition, it is important to be negotiable and to eliminate shortcuts

  1. Leukosis/Sarcoma Group

    Science.gov (United States)

    The leukosis/sarcoma (L/S) group of diseases designates a variety of transmissible benign and malignant neoplasms of chickens caused by members that belong to the family Retroviridae. Because the expansion of the literature on this disease, it is no longer feasible to cite all relevant publications ...

  2. Working Group Report: Neutrinos

    Energy Technology Data Exchange (ETDEWEB)

    de Gouvea, A.; Pitts, K.; Scholberg, K.; Zeller, G. P. [et al.

    2013-10-16

    This document represents the response of the Intensity Frontier Neutrino Working Group to the Snowmass charge. We summarize the current status of neutrino physics and identify many exciting future opportunities for studying the properties of neutrinos and for addressing important physics and astrophysics questions with neutrinos.

  3. Group: radiation dosimetry

    International Nuclear Information System (INIS)

    Caldas, L.V.E.

    1990-01-01

    The main activities of the radiation dosimetry group is described, including the calibration of instruments, sources and radioactive solutions and the determination of neutron flux; development, production and market dosimetric materials; development radiation sensor make the control of radiation dose received by IPEN workers; development new techniques for monitoring, etc. (C.G.C.)

  4. Categorization by Groups

    NARCIS (Netherlands)

    R.W. Hamilton (Rebecca); S. Puntoni (Stefano); N.T. Tavassoli (Nader)

    2006-01-01

    textabstractCategorization is a core psychological process central to consumer and managerial decision-making. While a substantial amount of research has been conducted to examine individual categorization behaviors, relatively little is known about the group categorization process. In two

  5. Gamma gamma technology group

    Indian Academy of Sciences (India)

    The purpose of the meeting was to form a group of people who ... able by looking at the energy deposited at the face of the final dipole, 4.5 m from ... A F Zarnecki has made a good start on background studies, V Telnov has proposed.

  6. Group theory in physics

    CERN Document Server

    Cornwell, J F

    1989-01-01

    Recent devopments, particularly in high-energy physics, have projected group theory and symmetry consideration into a central position in theoretical physics. These developments have taken physicists increasingly deeper into the fascinating world of pure mathematics. This work presents important mathematical developments of the last fifteen years in a form that is easy to comprehend and appreciate.

  7. Anaphylaxis vulnerable groups

    African Journals Online (AJOL)

    Ehab

    Age groups vulnerable to serious attacks of anaphylaxis include infants, teenagers, pregnant women, and the elderly. Concomitant diseases, such as severe or uncontrolled asthma, cardiovascular disease, mastocytosis or clonal mast cell disorders and the concurrent use of some medications such as beta adrenergic ...

  8. Special Interest Groups.

    Science.gov (United States)

    Degi, Bruce J.

    1999-01-01

    Offers a reflection on the shootings at Columbine High School in Littleton, Colorado, on April 20, 1999. Notes how every special-interest group has used the tragedy to support its own point of view, and concludes that teachers have become bystanders in the education of America's children. (SR)

  9. Ignalina Safety Analysis Group

    International Nuclear Information System (INIS)

    Ushpuras, E.

    1995-01-01

    The article describes the fields of activities of Ignalina NPP Safety Analysis Group (ISAG) in the Lithuanian Energy Institute and overview the main achievements gained since the group establishment in 1992. The group is working under the following guidelines: in-depth analysis of the fundamental physical processes of RBMK-1500 reactors; collection, systematization and verification of the design and operational data; simulation and analysis of potential accident consequences; analysis of thermohydraulic and neutronic characteristics of the plant; provision of technical and scientific consultations to VATESI, Governmental authorities, and also international institutions, participating in various projects aiming at Ignalina NPP safety enhancement. The ISAG is performing broad scientific co-operation programs with both Eastern and Western scientific groups, supplying engineering assistance for Ignalina NPP. ISAG is also participating in the joint Lithuanian - Swedish - Russian project - Barselina, the first Probabilistic Safety Assessment (PSA) study of Ignalina NPP. The work is underway together with Maryland University (USA) for assessment of the accident confinement system for a range of breaks in the primary circuit. At present the ISAG personnel is also involved in the project under the grant from the Nuclear Safety Account, administered by the European Bank for reconstruction and development for the preparation and review of an in-depth safety assessment of the Ignalina plant

  10. Gartner Group reports

    CERN Document Server

    Gartner Group. Stamford, CT

    Gartner Group is the one of the leading independent providers of research and analysis material for IT professionals. Their reports provide in-depth analysis of dominant trends, companies and products. CERN has obtained a licence making these reports available online to anyone within CERN. The database contains not only current reports, updated monthly, but also some going back over a year.

  11. Lattices in group manifolds

    International Nuclear Information System (INIS)

    Lisboa, P.; Michael, C.

    1982-01-01

    We address the question of designing optimum discrete sets of points to represent numerically a continuous group manifold. We consider subsets which are extensions of the regular discrete subgroups. Applications to Monte Carlo simulation of SU(2) and SU(3) gauge theory are discussed. (orig.)

  12. Teaching Badminton to Groups.

    Science.gov (United States)

    Nelson, Jonathan E.

    1980-01-01

    Numerous ideas for teaching badminton to large groups are presented. The focus is on drills and techniques for off the court instructional stations. Instead of having students waiting their turn to play, more students can participate actively as they rotate from one station to another. (JN)

  13. Group leaders optimization algorithm

    Science.gov (United States)

    Daskin, Anmer; Kais, Sabre

    2011-03-01

    We present a new global optimization algorithm in which the influence of the leaders in social groups is used as an inspiration for the evolutionary technique which is designed into a group architecture. To demonstrate the efficiency of the method, a standard suite of single and multi-dimensional optimization functions along with the energies and the geometric structures of Lennard-Jones clusters are given as well as the application of the algorithm on quantum circuit design problems. We show that as an improvement over previous methods, the algorithm scales as N 2.5 for the Lennard-Jones clusters of N-particles. In addition, an efficient circuit design is shown for a two-qubit Grover search algorithm which is a quantum algorithm providing quadratic speedup over the classical counterpart.

  14. Communication from ST Group

    CERN Document Server

    TS Department

    2008-01-01

    Please note that owing the preparations for the Open Days, the FM Group will not able to handle specific requests for waste collection from 2nd to 6th of April, nor removal or PC transport requests between the 31 March and 11 April. We kindly ask you to plan the collection of all types of waste and any urgent transport of office furniture or PCs before 31 March. Waste collection requests must be made by contacting FM Support on 77777 or at the e-mail address mailto:Fm.Support@cern.ch; removal of office furniture or PC transport requests must be made using the EDH ‘Transport request’ form (select "Removals" or "PC transport" from the drop-down menu). For any question concerning the sorting of waste, please consult the following web site: http://dechets-waste.web.cern.ch/dechets-waste/ Thank you for your understanding and collaboration. TS/FM Group

  15. Mindfulness for group facilitation

    DEFF Research Database (Denmark)

    Adriansen, Hanne Kirstine; Krohn, Simon

    2014-01-01

    In this paper, we argue that mindfulness techniques can be used for enhancing the outcome of group performance. The word mindfulness has different connotations in the academic literature. Broadly speaking there is ‘mindfulness without meditation’ or ‘Western’ mindfulness which involves active...... thinking and ‘Eastern’ mindfulness which refers to an open, accepting state of mind, as intended with Buddhist-inspired techniques such as meditation. In this paper, we are interested in the latter type of mindfulness and demonstrate how Eastern mindfulness techniques can be used as a tool for facilitation....... A brief introduction to the physiology and philosophy of Eastern mindfulness constitutes the basis for the arguments of the effect of mindfulness techniques. The use of mindfulness techniques for group facilitation is novel as it changes the focus from individuals’ mindfulness practice...

  16. Group and representation theory

    CERN Document Server

    Vergados, J D

    2017-01-01

    This volume goes beyond the understanding of symmetries and exploits them in the study of the behavior of both classical and quantum physical systems. Thus it is important to study the symmetries described by continuous (Lie) groups of transformations. We then discuss how we get operators that form a Lie algebra. Of particular interest to physics is the representation of the elements of the algebra and the group in terms of matrices and, in particular, the irreducible representations. These representations can be identified with physical observables. This leads to the study of the classical Lie algebras, associated with unitary, unimodular, orthogonal and symplectic transformations. We also discuss some special algebras in some detail. The discussion proceeds along the lines of the Cartan-Weyl theory via the root vectors and root diagrams and, in particular, the Dynkin representation of the roots. Thus the representations are expressed in terms of weights, which are generated by the application of the elemen...

  17. Working group 4: Terrestrial

    International Nuclear Information System (INIS)

    Anon.

    1993-01-01

    A working group at a Canada/USA symposium on climate change and the Arctic identified major concerns and issues related to terrestrial resources. The group examined the need for, and the means of, involving resource managers and users at local and territorial levels in the process of identifying and examining the impacts and consequences of climatic change. Climatic change will be important to the Arctic because of the magnitude of the change projected for northern latitudes; the apparent sensitivity of its terrestrial ecosystems, natural resources, and human support systems; and the dependence of the social, cultural, and economic welfare of Arctic communities, businesses, and industries on the health and quality of their environment. Impacts of climatic change on the physical, biological, and associated socio-economic environment are outlined. Gaps in knowledge needed to quantify these impacts are listed along with their relationships with resource management. Finally, potential actions for response and adaptation are presented

  18. Duality and quantum groups

    International Nuclear Information System (INIS)

    Alvarez-Gaume, L.; Gomez, C.; Sierra, G.

    1990-01-01

    We show that the duality properties of Rational Conformal Field Theories follow from the defining relations and the representation theory of quantum groups. The fusion and braiding matrices are q-analogues of the 6j-symbols and the modular transformation matrices are obtained from the properties of the co-multiplication. We study in detail the Wess-Zumino-Witten models and the rational gaussian models as examples, but carry out the arguments in general. We point out the connections with the Chern-Simons approach. We give general arguments of why the general solution to the polynomial equations of Moore and Seiberg describing the duality properties of Rational Conformal Field Theories defines a Quantum Group acting on the space of conformal blocks. A direct connection between Rational Theories and knot invariants is also presented along the lines of Jones' original work. (orig.)

  19. The Areva Group

    International Nuclear Information System (INIS)

    2004-08-01

    This document provides information on the Areva Group, a world nuclear industry leader, offering solutions for nuclear power generation, electricity transmission and distribution and interconnect systems to the telecommunications, computer and automotive markets. It presents successively the front end division including the group business lines involved in producing nuclear fuel for electric power generation (uranium mining, concentration, conversion and enrichment and nuclear fuel fabrication); the reactors and services division which designs and builds PWR, BWR and research reactors; the back end division which encompasses the management of the fuel that has been used in nuclear power plants; the transmission and distribution division which provides products, systems and services to the medium and high voltage energy markets; the connectors division which designs and manufactures electrical, electronic and optical connectors, flexible micro circuitry and interconnection systems. Areva is implemented in Europe, north and south america, africa and asia-pacific. (A.L.B.)

  20. The Ombudperson Initiative Group

    CERN Multimedia

    Laura Stewart

    Following many discussions that took place at some of the ATLAS Women's Network lunch gatherings, a few ATLAS women joined forces with similarly concerned CERN staff women to form a small group last Fall to discuss the need for a CERN-wide Ombudsperson. This has since evolved into the Ombudsperson Initiative Group (OIG) currently composed of the following members: Barbro Asman, Stockholm University; Pierre Charrue, CERN AB; Anna Cook, CERN IT; Catherine Delamare, CERN and IT Ombudsperson; Paula Eerola, Lund University; Pauline Gagnon, Indiana University; Eugenia Hatziangeli, CERN AB; Doreen Klem, CERN IT; Bertrand Nicquevert, CERN TS and Laura Stewart, CERN AT. On June 12, members of the OIG met with representatives of Human Resources (HR) and the Equal Opportunity Advisory Panel (EOAP) to discuss the proposal drafted by the OIG. The meeting was very positive. Everybody agreed that the current procedures at CERN applicable in the event of conflict required a thorough review, and that a professionnally trai...

  1. Metrically universal abelian groups

    Czech Academy of Sciences Publication Activity Database

    Doucha, Michal

    2017-01-01

    Roč. 369, č. 8 (2017), s. 5981-5998 ISSN 0002-9947 R&D Projects: GA AV ČR IAA100190902 Institutional support: RVO:67985840 Keywords : Abelian group Subject RIV: BA - General Mathematics OBOR OECD: Pure mathematics Impact factor: 1.426, year: 2016 http://www.ams.org/journals/tran/2017-369-08/S0002-9947-2017-07059-8/

  2. Storage ring group summary

    International Nuclear Information System (INIS)

    King, N.M.

    1980-01-01

    The Storage Ring Group set out to identify and pursue salient problems in accelerator physics for heavy ion fusion, divorced from any particular reference design concept. However, it became apparent that some basic parameter framework was required to correlate the different study topics. As the Workshop progressed, ring parameters were modified and updated. Consequently, the accompanying papers on individual topics will be found to refer to slightly varied parameters, according to the stage at which the different problems were tackled

  3. MAGIC user's group software

    International Nuclear Information System (INIS)

    Warren, G.; Ludeking, L.; McDonald, J.; Nguyen, K.; Goplen, B.

    1990-01-01

    The MAGIC User's Group has been established to facilitate the use of electromagnetic particle-in-cell software by universities, government agencies, and industrial firms. The software consists of a series of independent executables that are capable of inter-communication. MAGIC, SOS, μ SOS are used to perform electromagnetic simulations while POSTER is used to provide post-processing capabilities. Each is described in the paper. Use of the codes for Klystrode simulation is discussed

  4. Multibunch working group

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2001-07-01

    The goal of this working group was to foment discussions about the use and limitations of multi-bunch, representatives from most operating or in-project synchrotron radiation sources (ALS, SPEAR, BESSY-2, SPRING-8, ANKA, DELTA, PEP-2, DIAMOND, ESRF...) have presented their experience. The discussions have been led around 3 topics: 1) resistive wall instabilities and ion instabilities, 2) higher harmonic cavities, and 3) multibunch feedback systems.

  5. Group 4. Containment

    International Nuclear Information System (INIS)

    McCauley, V.S.; Keiser, J.R.

    1992-01-01

    This paper summarizes the findings of the Containment Working Group which met at the Workshop on Radioactive, Hazardous, and/or Mixed Waste Sludge Management. The Containment Working Group (CWG) examined the problems associated with providing adequate containment of waste forms from both short- and long-term storage. By its nature, containment encompasses a wide variety of waste forms, storage conditions, container types, containment schemes, and handling activities. A containment system can be anything from a 55-gal drum to a 100-ft-long underground vault. Because of the diverse nature of containment systems, the CWG chose to focus its limited time on broad issues that are applicable to the design of any containment system, rather than attempting to address problems specific to a particular containment system or waste-form type. Four major issues were identified by the CWG. They relate to: (1) service conditions and required system performance; (2) ultimate disposition; (3) cost and schedule; and (4) acceptance criteria, including quality assurance/quality control (QA/QC) concerns. All of the issues raised by the group are similar in that they all help to define containment system requirements

  6. Technology working group

    International Nuclear Information System (INIS)

    Tsujikura, Y.

    2000-01-01

    The workshop of 26-27 june 2000, on nuclear power Plant LIfe Management (PLIM), also included working groups in which major issues facing PLIM activities for nuclear power plants were identified and discussed. The first group was on Technology. Utilities should consider required provisions capacity by properly maintaining and preserving the existing power plants to the extent practicable and taking into account growing demand, limits of energy conservation, and difficulties in finding new power plant sites. Generally, the extension of the life of nuclear power plant (e.g. from 40 years to 60 years) is an attractive option for utilities, as the marginal cost of most existing nuclear power plants is lower than that of almost all other power sources. It is also an attractive option for environmental protection. Consequently, PLIM has become an important issue in the context of the regulatory reform of the electricity markets. Therefore, the three main objectives of the Technology working group are: 1) Documenting how the safety of nuclear power plants being operated for the long-term has been confirmed, and suggesting ways of sharing this information. 2) Addressing development of advanced maintenance technologies necessary over the plant lifetime, and clarifying their technical challenges. 3) Suggesting potential areas of research and development that might, be necessary. Some potential examples of such research include: - improving the effectiveness of maintenance methods to assure detection of incipient faults; - providing cost effective preventive maintenance programmes; - furnishing systematic, cost-effective refurbishment programmes framed to be consistent with efforts to extend the time between re-fuelling; - developing a methodology that moves routine maintenance on-line without compromising safety. (author)

  7. Notes on quantum groups

    International Nuclear Information System (INIS)

    Pressley, A.; Chari, V.; Tata Inst. of Fundamental Research, Bombay

    1990-01-01

    The authors presents an introduction to quantum groups defined as a deformation of the universal enveloping algebra of a Lie algebra. After the description of Hopf algebras with some examples the approach of Drinfel'd and Jimbo is described, where the quantization of a Lie algebra represents a Hopf algebra, defined over the algebra of formal power series in an indetermined h. The authors show that this approach arises from a r-matrix, which satisfies the classical Yang-Baxter equation. As example quantum sl 2 is considered. Furthermore the approaches of Manin and Woroniwicz and the R-matrix approach are described. (HSI)

  8. Unilever Group : equity valuation

    OpenAIRE

    Pires, Susana Sofia Castelo

    2014-01-01

    The following dissertation has the purpose to value the Unilever Group, but more specifically Unilever N.V. being publicly traded in the Amsterdam Exchange Index. Unilever is seen as a global player and one of most successful and competitive fast-moving consumer goods companies. In order to valuate Unilever’s equity, a Discounted Cash Flow (DCF) approach is first carried out, since it is believed to be the most reliable methodology. The value estimated was €36.39, advising one to buy its s...

  9. Statistical Group Comparison

    CERN Document Server

    Liao, Tim Futing

    2011-01-01

    An incomparably useful examination of statistical methods for comparisonThe nature of doing science, be it natural or social, inevitably calls for comparison. Statistical methods are at the heart of such comparison, for they not only help us gain understanding of the world around us but often define how our research is to be carried out. The need to compare between groups is best exemplified by experiments, which have clearly defined statistical methods. However, true experiments are not always possible. What complicates the matter more is a great deal of diversity in factors that are not inde

  10. Renormalization Group Functional Equations

    CERN Document Server

    Curtright, Thomas L

    2011-01-01

    Functional conjugation methods are used to analyze the global structure of various renormalization group trajectories. With minimal assumptions, the methods produce continuous flows from step-scaling {\\sigma} functions, and lead to exact functional relations for the local flow {\\beta} functions, whose solutions may have novel, exotic features, including multiple branches. As a result, fixed points of {\\sigma} are sometimes not true fixed points under continuous changes in scale, and zeroes of {\\beta} do not necessarily signal fixed points of the flow, but instead may only indicate turning points of the trajectories.

  11. Grouping Notes Through Nodes

    DEFF Research Database (Denmark)

    Dove, Graham; Abildgaard, Sille Julie Jøhnk; Biskjær, Michael Mose

    , both individually and when grouped, and their role in categorisation in semantic long-term memory. To do this, we adopt a multimodal analytical approach focusing on interaction between humans, and between humans and artefacts, alongside language. We discuss in detail examples of four different...... externalisation functions served by Post-ItTM notes, and show how these functions are present in complex overlapping combinations rather than being discrete. We then show how the temporal development of Post-ItTM note interactions supports categorisation qualities of semantic long-term memory....

  12. Grouping Notes Through Nodes

    DEFF Research Database (Denmark)

    Dove, Graham; Abildgaard, Sille Julie; Biskjær, Michael Mose

    2017-01-01

    , both individually and when grouped, and their role in categorisation in semantic long-term memory. To do this, we adopt a multimodal analytical approach focusing on interaction between humans, and between humans and artefacts, alongside language. We discuss in detail examples of four different...... externalisation functions served by Post-ItTM notes, and show how these functions are present in complex overlapping combinations rather than being discrete. We then show how the temporal development of Post-ItTM note interactions supports categorisation qualities of semantic long-term memory....

  13. Groups and symmetry

    CERN Document Server

    Farmer, David W

    1995-01-01

    In most mathematics textbooks, the most exciting part of mathematics-the process of invention and discovery-is completely hidden from the reader. The aim of Groups and Symmetry is to change all that. By means of a series of carefully selected tasks, this book leads readers to discover some real mathematics. There are no formulas to memorize; no procedures to follow. The book is a guide: Its job is to start you in the right direction and to bring you back if you stray too far. Discovery is left to you. Suitable for a one-semester course at the beginning undergraduate level, there are no prerequ

  14. Theory and modeling group

    Science.gov (United States)

    Holman, Gordon D.

    1989-01-01

    The primary purpose of the Theory and Modeling Group meeting was to identify scientists engaged or interested in theoretical work pertinent to the Max '91 program, and to encourage theorists to pursue modeling which is directly relevant to data which can be expected to result from the program. A list of participants and their institutions is presented. Two solar flare paradigms were discussed during the meeting -- the importance of magnetic reconnection in flares and the applicability of numerical simulation results to solar flare studies.

  15. The OMERACT Ultrasound Group

    DEFF Research Database (Denmark)

    Terslev, Lene; Iagnocco, Annamaria; Bruyn, George A W

    2017-01-01

    OBJECTIVE: To provide an update from the Outcome Measures in Rheumatology (OMERACT) Ultrasound Working Group on the progress for defining ultrasound (US) minimal disease activity threshold at joint level in rheumatoid arthritis (RA) and for standardization of US application in juvenile idiopathic......) and power Doppler (PD). Synovial effusion (SE) was scored a binary variable. For JIA, a Delphi approach and subsequent validation in static images and patient-based exercises were used to developed preliminary definitions for synovitis and a scoring system. RESULTS: For minimal disease activity, 7% HC had...

  16. A village group, Trashibiola

    OpenAIRE

    Thomson, John, 1837-1921, photographer

    2003-01-01

    158 x 111 mm. Woodburytype. A view showing a group of villagers seated in a paved courtyard in front of a stonewalled house (the principal house in the village). The village is near the town of Paphos. The photograph appears in Thomson's 'Through Cyprus with the camera, in the autumn of 1878' (vol.2, London: Sampson Low, Marston, Searle, and Rivington, 1879). Thomson states that the purpose of the gathering was twofold: to welcome strangers to the village and to discuss a point of law c...

  17. Bevalac computer support group

    International Nuclear Information System (INIS)

    McParland, C.; Bronson, M.

    1985-01-01

    During the past year, a group was created and placed under the leadership of Charles McParland. This is an expansion of previous Bevalac software efforts and has responsibilities in three major hardware and software areas. The first area is the support of the existing data acquisition/analysis VAX 11/780s at the Bevalac. The second area is the continued support of present data acquisition programs. The third principal area of effort is the development of new data acquisition systems to meet the increasing needs of the Bevalac experimental program

  18. Social group utility maximization

    CERN Document Server

    Gong, Xiaowen; Yang, Lei; Zhang, Junshan

    2014-01-01

    This SpringerBrief explains how to leverage mobile users' social relationships to improve the interactions of mobile devices in mobile networks. It develops a social group utility maximization (SGUM) framework that captures diverse social ties of mobile users and diverse physical coupling of mobile devices. Key topics include random access control, power control, spectrum access, and location privacy.This brief also investigates SGUM-based power control game and random access control game, for which it establishes the socially-aware Nash equilibrium (SNE). It then examines the critical SGUM-b

  19. ATLAS Detector Interface Group

    CERN Multimedia

    Mapelli, L

    Originally organised as a sub-system in the DAQ/EF-1 Prototype Project, the Detector Interface Group (DIG) was an information exchange channel between the Detector systems and the Data Acquisition to provide critical detector information for prototype design and detector integration. After the reorganisation of the Trigger/DAQ Project and of Technical Coordination, the necessity to provide an adequate context for integration of detectors with the Trigger and DAQ lead to organisation of the DIG as one of the activities of Technical Coordination. Such an organisation emphasises the ATLAS wide coordination of the Trigger and DAQ exploitation aspects, which go beyond the domain of the Trigger/DAQ project itself. As part of Technical Coordination, the DIG provides the natural environment for the common work of Trigger/DAQ and detector experts. A DIG forum for a wide discussion of all the detector and Trigger/DAQ integration issues. A more restricted DIG group for the practical organisation and implementation o...

  20. Communication from ST Group

    CERN Multimedia

    TS Department

    2008-01-01

    In order to prepare the organization of the Open Days, please note that FM Group will not able to take into account either specific requests for waste collection from 2nd to 6th of April, either removal or PC transport requests between the 31st and the 11th of March. We kindly ask you to plan the collection of any type of waste and the urgent transport of office furniture or PC before the 31st of March. Waste collection requests shall be formulated contacting FM Support at 77777 or at the email address mailto:Fm.Support@cern.ch; removal of office furniture or PC transport requests must be made using the EDH ‘Transport request’ form selecting the "Removals" or the "PC transport" category from the drop-down menu. For any question concerning the waste sorting, please consult the following web address: http://dechets-waste.web.cern.ch/dechets-waste/. Thank you for your understanding and collaboration. TS/FM Group

  1. Social group and mobbing

    Directory of Open Access Journals (Sweden)

    Baltezarević Vesna

    2009-01-01

    Full Text Available Our reality, having been subject to the numerous social crises during the last decades of the 20th century, is characterized by frequent incidences of powerlessness and alienation. The man is more frequently a subject to loneliness and overcomes the feeling of worthlessness, no matter whether he considers himself an individual or a part of a whole larger social. Such an environment leads to development of aggression in all fields of ones life. This paper has as an objective the pointing out of the mental harassment that is manifested in the working environment. There is a prevalence of mobbing cases, as a mode of pathological communication. The result of this is that a person, subjected to this kind of abuse, is soon faced with social isolation. This research also aspires to initiate the need for social groups self-organization of which victims are part of. The reaction modality of a social group directly conditions the outcome of the deliberate social drama, one is subjected to it as a result of mobbing.

  2. Meningococcal group B vaccines.

    Science.gov (United States)

    Findlow, Jamie

    2013-06-01

    Meningococcal disease remains a devastating and feared infection with a significant morbidity and mortality profile. The successful impact of meningococcal capsular group C glyconconjugate vaccines introduced into the UK infant immunization schedule in 1999, has resulted in >80% of disease now being attributable to meningococcal capsular group B (MenB). MenB glyconconjugate vaccines are not immunogenic and hence, vaccine design has focused on sub-capsular antigens. Recently, a four component vaccine to combat MenB disease (4CMenB) has progressed through clinical development and was approved by the European Medicines Agency at the end of 2012. This vaccine has proven safe and immunogenic and has been predicted to provide protection against ~73% of the MenB disease from England and Wales. Recommendation/implementation of the vaccine into the UK infant schedule is currently being evaluated. 4CMenB has the potential to provide protection against a significant proportion of MenB disease in the UK which is currently unpreventable.

  3. Business working group

    International Nuclear Information System (INIS)

    Doroshuk, B.W.

    2000-01-01

    The workshop of 26-27 june 2000, on nuclear power Plant LIfe Management (PLIM), also included working groups in which major issues facing PLIM activities for nuclear power plants were identified and discussed. The third group was on Business. The discussion concerned the following points: There are concerns about retaining experienced/trained personnel, and maintaining a good working relationship among them, as well as about the closure of research facilities, the reduction in staff numbers under increasing economic pressure and the lack of new nuclear power plant constructions. The marginal cost of producing electricity is lower for most existing nuclear power plants than for almost all other energy sources. Refurbishment costs are usually relatively small compared with new investments. The ongoing regulatory reform of the electricity market will bring increasing competition. Although PLIM has been carried out in many countries with favourable results, there are still uncertainties which affect business decisions regarding financial and market risks in PLIM activities. Recommendations were made. (author)

  4. Group Life Insurance

    CERN Multimedia

    2013-01-01

    The CERN Administration would like to remind you that staff members and fellows have the possibility to take out a life insurance contract on favourable terms through a Group Life Insurance.   This insurance is provided by the company Helvetia and is available to you on a voluntary basis. The premium, which varies depending on the age and gender of the person insured, is calculated on the basis of the amount of the death benefit chosen by the staff member/fellow and can be purchased in slices of 10,000 CHF.    The contract normally ends at the retirement age (65/67 years) or when the staff member/fellow leaves the Organization. The premium is deducted monthly from the payroll.   Upon retirement, the staff member can opt to maintain his membership under certain conditions.   More information about Group Life Insurance can be found at: Regulations (in French) Table of premiums The Pension Fund Benefit Service &...

  5. On the Brauer group

    International Nuclear Information System (INIS)

    Tankeev, Sergei G

    2000-01-01

    For an arithmetic model X of a Fermat surface or a hyperkahler variety with Betti number b 2 (V otimes k-bar)>3 over a purely imaginary number field k, we prove the finiteness of the l-components of Br'(X) for all primes l>>0. This yields a variant of a conjecture of M. Artin. If V is a smooth projective irregular surface over a number field k and V(k)≠ nothing, then the l-primary component of Br(V)/Br(k) is an infinite group for every prime l. Let A 1 →M 1 be the universal family of elliptic curves with a Jacobian structure of level N>=3 over a number field k supset of Q(e 2πi/N ). Assume that M 1 (k) ≠ nothing. If V is a smooth projective compactification of the surface A 1 , then the l-primary component of Br(V)/Br(M-bar 1 ) is a finite group for each sufficiently large prime l

  6. Biology task group

    International Nuclear Information System (INIS)

    Anon.

    1981-01-01

    The accomplishments of the task group studies over the past year are reviewed. The purposes of biological investigations, in the context of subseabed disposal, are: an evaluation of the dose to man; an estimation of effects on the ecosystem; and an estimation of the influence of organisms on and as barriers to radionuclide migration. To accomplish these ends, the task group adopted the following research goals: (1) acquire more data on biological accumulation of specific radionuclides, such as those of Tc, Np, Ra, and Sr; (2) acquire more data on transfer coefficients from sediment to organism; (3) Calculate mass transfer rates, construct simple models using them, and estimate collective dose commitment; (4) Identify specific pathways or transfer routes, determine the rates of transfer, and make dose limit calculations with simple models; (5) Calculate dose rates to and estimate irradiation effects on the biota as a result of waste emplacement, by reference to background irradiation calculations. (6) Examine the effect of the biota on altering sediment/water radionuclide exchange; (7) Consider the biological data required to address different accident scenarios; (8) Continue to provide the basic biological information for all of the above, and ensure that the system analysis model is based on the most realistic and up-to-date concepts of marine biologists; and (9) Ensure by way of free exchange of information that the data used in any model are the best currently available

  7. Doing focus group research

    DEFF Research Database (Denmark)

    Lindegaard, Laura Bang

    2014-01-01

    Scholars of ethnomethodologically informed discourse studies are often sceptical of the use of interview data such as focus group data. Some scholars quite simply reject interview data with reference to a general preference for so-called naturally occurring data. Other scholars acknowledge...... that interview data can be of some use if the distinction between natural and contrived data is given up and replaced with a distinction between interview data as topic or as resource. In greater detail, such scholars argue that interview data are perfectly adequate if the researcher wants to study the topic...... of interview interaction, but inadequate as data for studying phenomena that go beyond the phenomenon of interview interaction. Neither of these more and less sceptical positions are, on the face of it, surprising due to the ethnomethodological commitment to study social order as accomplished in situ...

  8. Group life insurance

    CERN Multimedia

    2013-01-01

    The CERN Administration wishes to inform staff members and fellows having taken out optional life insurance under the group contract signed by CERN that the following changes to the rules and regulations entered into force on 1 January 2013:   The maximum age for an active member has been extended from 65 to 67 years. The beneficiary clause now allows insured persons to designate one or more persons of their choice to be their beneficiary(-ies), either at the time of taking out the insurance or at a later date, in which case the membership/modification form must be updated accordingly. Beneficiaries must be clearly identified (name, first name, date of birth, address).   The membership/modification form is available on the FP website: http://fp.web.cern.ch/helvetia-life-insurance For further information, please contact: Valentina Clavel (Tel. 73904) Peggy Pithioud (Tel. 72736)

  9. End Group Modification

    DEFF Research Database (Denmark)

    Jahnsen, Rasmus O; Sandberg-Schaal, Anne; Frimodt-Møller, Niels

    2015-01-01

    Increased incidence of infections with multidrug-resistant bacterial strains warrants an intensive search for novel potential antimicrobial agents. Here, an antimicrobial peptide analogue with a cationic/hydrophobic alternating design displaying only moderate activity against Gram-positive pathog......Increased incidence of infections with multidrug-resistant bacterial strains warrants an intensive search for novel potential antimicrobial agents. Here, an antimicrobial peptide analogue with a cationic/hydrophobic alternating design displaying only moderate activity against Gram......, the most favorable hydrophobic activity-inducing moieties were found to be cyclohexylacetyl and pentafluorophenylacetyl groups, while the presence of a short PEG-like chain had no significant effect on activity. Introduction of cationic moieties conferred no effect or merely a moderate activity...

  10. Optimised Renormalisation Group Flows

    CERN Document Server

    Litim, Daniel F

    2001-01-01

    Exact renormalisation group (ERG) flows interpolate between a microscopic or classical theory and the corresponding macroscopic or quantum effective theory. For most problems of physical interest, the efficiency of the ERG is constrained due to unavoidable approximations. Approximate solutions of ERG flows depend spuriously on the regularisation scheme which is determined by a regulator function. This is similar to the spurious dependence on the ultraviolet regularisation known from perturbative QCD. Providing a good control over approximated ERG flows is at the root for reliable physical predictions. We explain why the convergence of approximate solutions towards the physical theory is optimised by appropriate choices of the regulator. We study specific optimised regulators for bosonic and fermionic fields and compare the optimised ERG flows with generic ones. This is done up to second order in the derivative expansion at both vanishing and non-vanishing temperature. An optimised flow for a ``proper-time ren...

  11. Graphs, groups and surfaces

    CERN Document Server

    White, AT

    1985-01-01

    The field of topological graph theory has expanded greatly in the ten years since the first edition of this book appeared. The original nine chapters of this classic work have therefore been revised and updated. Six new chapters have been added, dealing with: voltage graphs, non-orientable imbeddings, block designs associated with graph imbeddings, hypergraph imbeddings, map automorphism groups and change ringing.Thirty-two new problems have been added to this new edition, so that there are now 181 in all; 22 of these have been designated as ``difficult'''' and 9 as ``unsolved''''. Three of the four unsolved problems from the first edition have been solved in the ten years between editions; they are now marked as ``difficult''''.

  12. Quantum Secure Group Communication.

    Science.gov (United States)

    Li, Zheng-Hong; Zubairy, M Suhail; Al-Amri, M

    2018-03-01

    We propose a quantum secure group communication protocol for the purpose of sharing the same message among multiple authorized users. Our protocol can remove the need for key management that is needed for the quantum network built on quantum key distribution. Comparing with the secure quantum network based on BB84, we show our protocol is more efficient and securer. Particularly, in the security analysis, we introduce a new way of attack, i.e., the counterfactual quantum attack, which can steal information by "invisible" photons. This invisible photon can reveal a single-photon detector in the photon path without triggering the detector. Moreover, the photon can identify phase operations applied to itself, thereby stealing information. To defeat this counterfactual quantum attack, we propose a quantum multi-user authorization system. It allows us to precisely control the communication time so that the attack can not be completed in time.

  13. Working Group Report: Sensors

    Energy Technology Data Exchange (ETDEWEB)

    Artuso, M.; et al.,

    2013-10-18

    Sensors play a key role in detecting both charged particles and photons for all three frontiers in Particle Physics. The signals from an individual sensor that can be used include ionization deposited, phonons created, or light emitted from excitations of the material. The individual sensors are then typically arrayed for detection of individual particles or groups of particles. Mounting of new, ever higher performance experiments, often depend on advances in sensors in a range of performance characteristics. These performance metrics can include position resolution for passing particles, time resolution on particles impacting the sensor, and overall rate capabilities. In addition the feasible detector area and cost frequently provides a limit to what can be built and therefore is often another area where improvements are important. Finally, radiation tolerance is becoming a requirement in a broad array of devices. We present a status report on a broad category of sensors, including challenges for the future and work in progress to solve those challenges.

  14. Representation Theory of Algebraic Groups and Quantum Groups

    CERN Document Server

    Gyoja, A; Shinoda, K-I; Shoji, T; Tanisaki, Toshiyuki

    2010-01-01

    Invited articles by top notch expertsFocus is on topics in representation theory of algebraic groups and quantum groupsOf interest to graduate students and researchers in representation theory, group theory, algebraic geometry, quantum theory and math physics

  15. Oklo working group meeting

    International Nuclear Information System (INIS)

    Von Maravic, H.

    1993-01-01

    Natural analogue studies have been carried out for several years in the framework of the European Community's R and D programme on radioactive waste; and within its recent fourth five-year programme on 'Management and storage of radioactive waste (1990-94)' the Community is participating in the Oklo study, natural analogue for transfer processes in a geological repository. The Oklo project is coordinated by CEA-IPSN (F) and involves laboratories from several CEA directorates (IPSN, DTA and DCC) which collaborate with other institutions from France: CREGU, Nancy; CNRS, Strasbourg and ENSMD, Fontainebleau. Moreover, institutes from non-EC member States are also taking part in the Oklo study. The second joint CEC-CEA progress meeting of the Oklo Working Group was held in April 1992 in Brussels and gave the possibility of reviewing and discussing progress made since its first meeting in February 1991 at CEA in Fontenay-aux-Roses. About 40 participants from 15 laboratories and organizations coming from France, Canada, Gabon, Japan, Sweden and the USA underline the great interest in the ongoing research activities. The meeting focused on the different tasks within the CEC-CEA Oklo project concerning (i) field survey and sampling, (ii) characterization of the source term, (iii) studies of the petrographical and geochemical system, and (iv) studies of the hydrogeological system and hydrodynamic modelling. (author) 17 papers are presented

  16. The Liabilities Management Group

    International Nuclear Information System (INIS)

    Whitehead, A.W.

    1998-01-01

    The Liabilities Management Group (LMG) was initiated by DTI. It is a cooperative forum which was set up in 1995. The current participants are DTI, UKAEA, NLM (for BNFL), MOD and Magnox Electric. The LMG was initiated to produce closer cooperation between public sector liability management organizations, achieve more cost-effective management of UK nuclear liabilities and enhance development of the UK nuclear decommissioning and waste management strategy. The objectives are to compare practices between liabilities management organizations discuss the scope for collaboration identify priority areas for possible collaboration agree action plans for exploring and undertaking such collaboration.Four task forces have been formed to look at specific areas (R and D, safety, contracts, and project management) and each reports separately to the LMG. The LMG has achieved its original aim of bringing together those with public sector liability management responsibilities. All participants feel that the LMG has been useful and that it should continue. Looking to the future, there is a continuing need for the LMG to facilitate removal of barriers to the achievement of best value for money. The LMG might also consider addressing the 'business process' elements that a liability management organization must be good at in order to define best practice in these. (author)

  17. CORRELATION BETWEEN GROUP LOCAL DENSITY AND GROUP LUMINOSITY

    Energy Technology Data Exchange (ETDEWEB)

    Deng Xinfa [School of Science, Nanchang University, Jiangxi 330031 (China); Yu Guisheng [Department of Natural Science, Nanchang Teachers College, Jiangxi 330103 (China)

    2012-11-10

    In this study, we investigate the correlation between group local number density and total luminosity of groups. In four volume-limited group catalogs, we can conclude that groups with high luminosity exist preferentially in high-density regions, while groups with low luminosity are located preferentially in low-density regions, and that in a volume-limited group sample with absolute magnitude limit M{sub r} = -18, the correlation between group local number density and total luminosity of groups is the weakest. These results basically are consistent with the environmental dependence of galaxy luminosity.

  18. Group Counseling in the Schools

    Science.gov (United States)

    Perusse, Rachelle; Goodnough, Gary E.; Lee, Vivian V.

    2009-01-01

    Group counseling is an effective intervention when working in a school setting. In this article, the authors discuss the different kinds of groups offered in schools, types of group interventions, strategies to use in forming groups, and how to collaborate with others in the school. Because leading groups in schools is a specialized skill, the…

  19. Naive Theories of Social Groups

    Science.gov (United States)

    Rhodes, Marjorie

    2012-01-01

    Four studies examined children's (ages 3-10, Total N = 235) naive theories of social groups, in particular, their expectations about how group memberships constrain social interactions. After introduction to novel groups of people, preschoolers (ages 3-5) reliably expected agents from one group to harm members of the other group (rather than…

  20. Making Cooperative Learning Groups Work.

    Science.gov (United States)

    Hawley, James; De Jong, Cherie

    1995-01-01

    Discusses the use of cooperative-learning groups with middle school students. Describes cooperative-learning techniques, including group roles, peer evaluation, and observation and monitoring. Considers grouping options, including group size and configuration, dyads, the think-pair-share lecture, student teams achievement divisions, jigsaw groups,…

  1. Fermilab Steering Group Report

    Energy Technology Data Exchange (ETDEWEB)

    Beier, Eugene; /Pennsylvania U.; Butler, Joel; /Fermilab; Dawson, Sally; /Brookhaven; Edwards, Helen; /Fermilab; Himel, Thomas; /SLAC; Holmes, Stephen; /Fermilab; Kim, Young-Kee; /Fermilab /Chicago U.; Lankford, Andrew; /UC, Irvine; McGinnis, David; /Fermilab; Nagaitsev, Sergei; /Fermilab; Raubenheimer, Tor; /SLAC /Fermilab

    2007-01-01

    The Fermilab Steering Group has developed a plan to keep U.S. accelerator-based particle physics on the pathway to discovery, both at the Terascale with the LHC and the ILC and in the domain of neutrinos and precision physics with a high-intensity accelerator. The plan puts discovering Terascale physics with the LHC and the ILC as Fermilab's highest priority. While supporting ILC development, the plan creates opportunities for exciting science at the intensity frontier. If the ILC remains near the Global Design Effort's technically driven timeline, Fermilab would continue neutrino science with the NOVA experiment, using the NuMI (Neutrinos at the Main Injector) proton plan, scheduled to begin operating in 2011. If ILC construction must wait somewhat longer, Fermilab's plan proposes SNuMI, an upgrade of NuMI to create a more powerful neutrino beam. If the ILC start is postponed significantly, a central feature of the proposed Fermilab plan calls for building an intense proton facility, Project X, consisting of a linear accelerator with the currently planned characteristics of the ILC combined with Fermilab's existing Recycler Ring and the Main Injector accelerator. The major component of Project X is the linac. Cryomodules, radio-frequency distribution, cryogenics and instrumentation for the linac are the same as or similar to those used in the ILC at a scale of about one percent of a full ILC linac. Project X's intense proton beams would open a path to discovery in neutrino science and in precision physics with charged leptons and quarks. World-leading experiments would allow physicists to address key questions of the Quantum Universe: How did the universe come to be? Are there undiscovered principles of nature: new symmetries, new physical laws? Do all the particles and forces become one? What happened to the antimatter? Building Project X's ILC-like linac would offer substantial support for ILC development by accelerating the

  2. Linear deformations of discrete groups and constructions of multivalued groups

    International Nuclear Information System (INIS)

    Yagodovskii, Petr V

    2000-01-01

    We construct deformations of discrete multivalued groups described as special deformations of their group algebras in the class of finite-dimensional associative algebras. We show that the deformations of ordinary groups producing multivalued groups are defined by cocycles with coefficients in the group algebra of the original group and obtain classification theorems on these deformations. We indicate a connection between the linear deformations of discrete groups introduced in this paper and the well-known constructions of multivalued groups. We describe the manifold of three-dimensional associative commutative algebras with identity element, fixed basis, and a constant number of values. The group algebras of n-valued groups of order three (three-dimensional n-group algebras) form a discrete set in this manifold

  3. Group B Streptococcus and Pregnancy

    Science.gov (United States)

    ... B Strep and Pregnancy • What is group B streptococcus (GBS)? • What does it mean to be colonized ... planned cesarean birth? •Glossary What is group B streptococcus (GBS)? Group B streptococcus is one of the ...

  4. Harmonic Analysis and Group Representation

    CERN Document Server

    Figa-Talamanca, Alessandro

    2011-01-01

    This title includes: Lectures - A. Auslander, R. Tolimeri - Nilpotent groups and abelian varieties, M Cowling - Unitary and uniformly bounded representations of some simple Lie groups, M. Duflo - Construction de representations unitaires d'un groupe de Lie, R. Howe - On a notion of rank for unitary representations of the classical groups, V.S. Varadarajan - Eigenfunction expansions of semisimple Lie groups, and R. Zimmer - Ergodic theory, group representations and rigidity; and, Seminars - A. Koranyi - Some applications of Gelfand pairs in classical analysis.

  5. Topological K-Kolmogorov groups

    International Nuclear Information System (INIS)

    Abd El-Sattar, A. Dabbour.

    1987-07-01

    The idea of the K-groups was used to define K-Kolmogorov homology and cohomology (over pairs of coefficient groups) which are descriptions of certain modifications of the Kolmogorov groups. The present work is devoted to the study of the topological properties of the K-Kolmogorov groups which lie at the root of the group duality based essentially upon Pontrjagin's concept of group multiplication. 14 refs

  6. Post-Disaster Social Justice Group Work and Group Supervision

    Science.gov (United States)

    Bemak, Fred; Chung, Rita Chi-Ying

    2011-01-01

    This article discusses post-disaster group counseling and group supervision using a social justice orientation for working with post-disaster survivors from underserved populations. The Disaster Cross-Cultural Counseling model is a culturally responsive group counseling model that infuses social justice into post-disaster group counseling and…

  7. Group Leader Development: Effects of Personal Growth and Psychoeducational Groups

    Science.gov (United States)

    Ohrt, Jonathan H.; Robinson, E. H., III; Hagedorn, W. Bryce

    2013-01-01

    The purpose of this quasi-experimental study was to compare the effects of personal growth groups and psychoeducational groups on counselor education students' (n = 74) empathy and group leader self-efficacy. Additionally, we compared the degree to which participants in each group valued: (a) cohesion, (b) catharsis, and (c) insight. There were no…

  8. Feminist Principles in Survivor's Groups: Out-of-Group Contact.

    Science.gov (United States)

    Rittenhouse, JoAn

    1997-01-01

    Illustrates the value of theoretical concepts from Feminist Therapy in the group treatment of women survivors. Theoretical underpinnings are supported using data taken from clinical experience and by examining group themes and out-of-group contact developed from the case sample. Principles regarding feminist groups are proposed. (RJM)

  9. Platinum-group elements

    Science.gov (United States)

    Zientek, Michael L.; Loferski, Patricia J.; Parks, Heather L.; Schulte, Ruth F.; Seal, Robert R.; Schulz, Klaus J.; DeYoung,, John H.; Seal, Robert R.; Bradley, Dwight C.

    2017-12-19

    The platinum-group elements (PGEs)—platinum, palladium, rhodium, ruthenium, iridium, and osmium—are metals that have similar physical and chemical properties and tend to occur together in nature. PGEs are indispensable to many industrial applications but are mined in only a few places. The availability and accessibility of PGEs could be disrupted by economic, environmental, political, and social events. The United States net import reliance as a percentage of apparent consumption is about 90 percent.PGEs have many industrial applications. They are used in catalytic converters to reduce carbon monoxide, hydrocarbon, and nitrous oxide emissions in automobile exhaust. The chemical industry requires platinum or platinum-rhodium alloys to manufacture nitric oxide, which is the raw material used to manufacture explosives, fertilizers, and nitric acid. In the petrochemical industry, platinum-supported catalysts are needed to refine crude oil and to produce aromatic compounds and high-octane gasoline. Alloys of PGEs are exceptionally hard and durable, making them the best known coating for industrial crucibles used in the manufacture of chemicals and synthetic materials. PGEs are used by the glass manufacturing industry in the production of fiberglass and flat-panel and liquid crystal displays. In the electronics industry, PGEs are used in computer hard disks, hybridized integrated circuits, and multilayer ceramic capacitors.Aside from their industrial applications, PGEs are used in such other fields as health, consumer goods, and finance. Platinum, for example, is used in medical implants, such as pacemakers, and PGEs are used in cancer-fighting drugs. Platinum alloys are an ideal choice for jewelry because of their white color, strength, and resistance to tarnish. Platinum, palladium, and rhodium in the form of coins and bars are also used as investment commodities, and various financial instruments based on the value of these PGEs are traded on major exchanges

  10. Emotional collectives: How groups shape emotions and emotions shape groups.

    Science.gov (United States)

    van Kleef, Gerben A; Fischer, Agneta H

    2016-01-01

    Group settings are epicentres of emotional activity. Yet, the role of emotions in groups is poorly understood. How do group-level phenomena shape group members' emotional experience and expression? How are emotional expressions recognised, interpreted and shared in group settings? And how do such expressions influence the emotions, cognitions and behaviours of fellow group members and outside observers? To answer these and other questions, we draw on relevant theoretical perspectives (e.g., intergroup emotions theory, social appraisal theory and emotions as social information theory) and recent empirical findings regarding the role of emotions in groups. We organise our review according to two overarching themes: how groups shape emotions and how emotions shape groups. We show how novel empirical approaches break important new ground in uncovering the role of emotions in groups. Research on emotional collectives is thriving and constitutes a key to understanding the social nature of emotions.

  11. Size-regulated group separation of CoFe2O4 nanoparticles using centrifuge and their magnetic resonance contrast properties

    Science.gov (United States)

    Kang, Jongeun; Lee, Hyunseung; Kim, Young-Nam; Yeom, Areum; Jeong, Heejeong; Lim, Yong Taik; Hong, Kwan Soo

    2013-09-01

    Magnetic nanoparticle (MNP)-based magnetic resonance imaging (MRI) contrast agents (CAs) have been the subject of extensive research over recent decades. The particle size of MNPs varies widely and is known to influence their physicochemical and pharmacokinetic properties. There are two commonly used methods for synthesizing MNPs, organometallic and aqueous solution coprecipitation. The former has the advantage of being able to control the particle size more effectively; however, the resulting particles require a hydrophilic coating in order to be rendered water soluble. The MNPs produced using the latter method are intrinsically water soluble, but they have a relatively wide particle size distribution. Size-controlled water-soluble MNPs have great potential as MRI CAs and in cell sorting and labeling applications. In the present study, we synthesized CoFe2O4 MNPs using an aqueous solution coprecipitation method. The MNPs were subsequently separated into four groups depending on size, by the use of centrifugation at different speeds. The crystal shapes and size distributions of the particles in the four groups were measured and confirmed by transmission electron microscopy and dynamic light scattering. Using X-ray diffraction analysis, the MNPs were found to have an inverse spinel structure. Four MNP groups with well-selected semi-Gaussian-like diameter distributions were obtained, with measured T2 relaxivities ( r 2) at 4.7 T and room temperature in the range of 60 to 300 mM-1s-1, depending on the particle size. This size regulation method has great promise for applications that require homogeneous-sized MNPs made by an aqueous solution coprecipitation method. Any group of the CoFe2O4 MNPs could be used as initial base cores of MRI T2 CAs, with almost unique T2 relaxivity owing to size regulation. The methodology reported here opens up many possibilities for biosensing applications and disease diagnosis.

  12. OXIDATIVE ALKYLATION OF (ETA-5-C5ME5)2TIR (R=CL, ME, ET, CH=CH2, PH, OME, N=C(H)TERT-BU) TO (ETA-5-C5ME5)2TI(ME)R BY GROUP-12 ORGANOMETALLIC COMPOUNDS MME2

    NARCIS (Netherlands)

    LUINSTRA, GA; TEUBEN, JH

    1991-01-01

    Oxidative alkylation of Cp*2TiX (Cp*: eta-5-C5Me5; X = OMe, Cl, N = C(H)tBu) and Cp*2TiMe by CdMe2 or ZnMe2 gives diamagnetic Cp*2Ti(Me)X and Cp*2TiMe2 respectively, and cadmium or zinc. The reactions of Cp*2TiR (R = Et, CH = CH2, Ph) with MMe2 (M = Cd, Zn) give statistical mixtures of Cp*2Ti(Me)R,

  13. Group 1B organometallic chemistry XXIX. Synthetic and structural aspects of polynuclear arylcopperlithium compounds Ar4Cu2Li2 ('arylcuprates') and interaggregate exchange phenomena in Ar4Cu4/Ar4Li4/Ar4Cu2Li2 systems

    NARCIS (Netherlands)

    Koten, G. van; Noltes, J.G.

    1979-01-01

    The thermally stable arylmetal-IB-lithium compounds (2-Me{2}NCHZC{6}H{4}){4}M{2}Li{2} (M = Cu, Ag or Au; Z = H or Me) and (2-Me{2}NC{6}H{4}){4}M{2}Li{2} have been prepared by a 21 molar reaction of the aryllithium compounds with the corresponding metal-IB halide (Cu or Ag) or metal-lB halide

  14. New building block for organometallic-inorganic hybrid polymers: the mixed group 15/16 element ligand complex [Cp*.sub.2./sub.Mo.sub.2./sub.(μ,η.sup.2:2./sup.-PSe).sub.2./sub.(μ-Se)](Cp* = C.sub.5./sub.Me.sub.5./sub.)

    Czech Academy of Sciences Publication Activity Database

    Bodensteiner, M.; Dušek, Michal; Kubicki, M. M.; Pronold, M.; Scheer, M.; Wachter, J.; Zabel, M.

    2010-01-01

    Roč. 2010, č. 33 (2010), s. 5298-5303 ISSN 1434-1948 Institutional research plan: CEZ:AV0Z10100521 Keywords : phosphorus * selenium * copper * coordination modes * polymers Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.909, year: 2010

  15. Group IB organometallic Chemistry XXIII. Reaction of Ar4Cu2Li2 with RhI complexes; Synthesis of 2-[(dimethylamino)methyl] phenylrhodium dicarbon monoxide and electron-transfer induced selective formation of diarylketones ArC(O)Ar

    NARCIS (Netherlands)

    Koten, G. van; Jastrzebski, J.T.B.H.; Noltes, J.G.

    1978-01-01

    The 1/1 reaction of (2-Me{2}NCH{2}C{6}H{4}){4}M{2}Li{2} (M = Cu or Au) with (CO){2}ClRh-dimer affords (2-Me{2}NCH{2}C{6}H{4}M){n} and the novel 2-Me{2}NCH{2}C{6}H{4}Rh(CO){2}. In contrast, the reaction of (x-tolyl){4}M{2}Li{2} (x = 2, M = Cu or Au) under a CO atmosphere results in the formation of

  16. Group performance and group learning at dynamic system control tasks

    International Nuclear Information System (INIS)

    Drewes, Sylvana

    2013-01-01

    Proper management of dynamic systems (e.g. cooling systems of nuclear power plants or production and warehousing) is important to ensure public safety and economic success. So far, research has provided broad evidence for systematic shortcomings in individuals' control performance of dynamic systems. This research aims to investigate whether groups manifest synergy (Larson, 2010) and outperform individuals and if so, what processes lead to these performance advantages. In three experiments - including simulations of a nuclear power plant and a business setting - I compare the control performance of three-person-groups to the average individual performance and to nominal groups (N = 105 groups per experiment). The nominal group condition captures the statistical advantage of aggregated group judgements not due to social interaction. First, results show a superior performance of groups compared to individuals. Second, a meta-analysis across all three experiments shows interaction-based process gains in dynamic control tasks: Interacting groups outperform the average individual performance as well as the nominal group performance. Third, group interaction leads to stable individual improvements of group members that exceed practice effects. In sum, these results provide the first unequivocal evidence for interaction-based performance gains of groups in dynamic control tasks and imply that employers should rely on groups to provide opportunities for individual learning and to foster dynamic system control at its best.

  17. Does group efficacy increase group identification? Resolving their paradoxical relationship

    NARCIS (Netherlands)

    van Zomeren, Martijn; Leach, Colin Wayne; Spears, Russell

    2010-01-01

    Although group identification and group efficacy are both important predictors of collective action against collective disadvantage, there is mixed evidence for their (causal) relationship. Meta-analytic and correlational evidence suggests an overall positive relationship that has been interpreted

  18. Secure Group Communications for Large Dynamic Multicast Group

    Institute of Scientific and Technical Information of China (English)

    Liu Jing; Zhou Mingtian

    2003-01-01

    As the major problem in multicast security, the group key management has been the focus of research But few results are satisfactory. In this paper, the problems of group key management and access control for large dynamic multicast group have been researched and a solution based on SubGroup Secure Controllers (SGSCs) is presented, which solves many problems in IOLUS system and WGL scheme.

  19. How to conduct focus groups: researching group priorities through discussion.

    Science.gov (United States)

    1992-01-01

    Focus groups serve to uncover priorities and beliefs of a target group, but health project designers do not always take the time to seek this information beforehand. Focus groups also allow various local subgroups to communicate their concerns before the project starts. Focus groups can also breed ideas and dialogue that individual interviews cannot and they provide baseline information so managers can determine if attitudes or priorities have resulted from the project. Diverse people have different beliefs, e.g., women who have young children view oral rehydration therapy differently from women with no children. Project designers can use these basic differences to arrive at some conclusions about general attitudes. Focus group facilitators should have a discussion outline to help keep the group on the topic of concern. They should limit sessions to 60-90 minutes. Each focus groups should include 8-10 people. It is important to have members of various community subgroups in each group. Yet group designers should be careful not to include within the same group, those who may intimidate other people in the group, e.g., in situations where farmers depend on middlemen, farmers may not be open if middlemen are also in the focus group. Facilitators should launch each session with an attempt to encourage the members to be open and to feel comfortable. For example, in Malawi, a facilitator leads her focus group discussions with songs. Stories are another icebreaker. It is important that all focus groups centering around a certain project discuss the same topics. Facilitators need to stress to the group that all discussions are to be kept confidential. The designers should also carefully word the questions so that facilitators will not impart their bias. Facilitators should not direct the group to certain conclusions, but instead keep the discussions focused.

  20. Group covariance and metrical theory

    International Nuclear Information System (INIS)

    Halpern, L.

    1983-01-01

    The a priori introduction of a Lie group of transformations into a physical theory has often proved to be useful; it usually serves to describe special simplified conditions before a general theory can be worked out. Newton's assumptions of absolute space and time are examples where the Euclidian group and translation group have been introduced. These groups were extended to the Galilei group and modified in the special theory of relativity to the Poincare group to describe physics under the given conditions covariantly in the simplest way. The criticism of the a priori character leads to the formulation of the general theory of relativity. The general metric theory does not really give preference to a particular invariance group - even the principle of equivalence can be adapted to a whole family of groups. The physical laws covariantly inserted into the metric space are however adapted to the Poincare group. 8 references

  1. Defining and Classifying Interest Groups

    DEFF Research Database (Denmark)

    Baroni, Laura; Carroll, Brendan; Chalmers, Adam

    2014-01-01

    The interest group concept is defined in many different ways in the existing literature and a range of different classification schemes are employed. This complicates comparisons between different studies and their findings. One of the important tasks faced by interest group scholars engaged...... in large-N studies is therefore to define the concept of an interest group and to determine which classification scheme to use for different group types. After reviewing the existing literature, this article sets out to compare different approaches to defining and classifying interest groups with a sample...... in the organizational attributes of specific interest group types. As expected, our comparison of coding schemes reveals a closer link between group attributes and group type in narrower classification schemes based on group organizational characteristics than those based on a behavioral definition of lobbying....

  2. What Is a Group? Young Children's Perceptions of Different Types of Groups and Group Entitativity.

    Directory of Open Access Journals (Sweden)

    Maria Plötner

    Full Text Available To date, developmental research on groups has focused mainly on in-group biases and intergroup relations. However, little is known about children's general understanding of social groups and their perceptions of different forms of group. In this study, 5- to 6-year-old children were asked to evaluate prototypes of four key types of groups: an intimacy group (friends, a task group (people who are collaborating, a social category (people who look alike, and a loose association (people who coincidently meet at a tram stop. In line with previous work with adults, the vast majority of children perceived the intimacy group, task group, and social category, but not the loose association, to possess entitativity, that is, to be a 'real group.' In addition, children evaluated group member properties, social relations, and social obligations differently in each type of group, demonstrating that young children are able to distinguish between different types of in-group relations. The origins of the general group typology used by adults thus appear early in development. These findings contribute to our knowledge about children's intuitive understanding of groups and group members' behavior.

  3. Effectiveness of Group Supervision versus Combined Group and Individual Supervision.

    Science.gov (United States)

    Ray, Dee; Altekruse, Michael

    2000-01-01

    Investigates the effectiveness of different types of supervision (large group, small group, combined group, individual supervision) with counseling students (N=64). Analyses revealed that all supervision formats resulted in similar progress in counselor effectiveness and counselor development. Participants voiced a preference for individual…

  4. Group Insight Versus Group Desensitization in Treating Speech Anxiety

    Science.gov (United States)

    Meichenbaum, Donald H.; And Others

    1971-01-01

    Results of this study indicated that the insight group was as effective as the desensitization group in significantly reducing speech anxiety over control group levels as assessed by behavioral, cognitive, and self-report measures given immediately after posttreatment and later at a three-month follow-up. (Author)

  5. Re-Examining Group Development in Adventure Therapy Groups.

    Science.gov (United States)

    DeGraaf, Don; Ashby, Jeff

    1998-01-01

    Small-group development is an important aspect of adventure therapy. Supplementing knowledge of sequential stages of group development with knowledge concerning within-stage nonsequential development yields a richer understanding of groups. Integrating elements of the individual counseling relationship (working alliance, transference, and real…

  6. Saving Face and Group Identity

    DEFF Research Database (Denmark)

    Eriksson, Tor; Mao, Lei; Villeval, Marie-Claire

    2015-01-01

    their self- but also other group members' image. This behavior is frequent even in the absence of group identity. When group identity is more salient, individuals help regardless of whether the least performer is an in-group or an out-group. This suggests that saving others' face is a strong social norm.......Are people willing to sacrifice resources to save one's and others' face? In a laboratory experiment, we study whether individuals forego resources to avoid the public exposure of the least performer in their group. We show that a majority of individuals are willing to pay to preserve not only...

  7. Enhancing Social Communication Between Groups

    NARCIS (Netherlands)

    T. Stevens; P. Hughes (Peter); D. Williams; I. Craigie; I. Kegel; P.S. Cesar Garcia (Pablo Santiago); A.J. Jansen (Jack); M.F. Usrsu; M. Frantzis; N. Farber; M. Lutzky; S. Vogel

    2010-01-01

    htmlabstractThis paper describes a prototype software platform that supports advanced communications services, specifically services enabling effective group-to-group communications with a social purpose, between remote homes. The architecture, the individual components, their interfaces, and the

  8. Coordinated Control of Vehicle Groups

    National Research Council Canada - National Science Library

    Kumar, Vijay

    2004-01-01

    .... There are three main objectives: (1) to develop a theoretical paradigm for formalizing the concepts of a group, a team, and control of groups, with specified tasks such as exploring, mapping, searching, and transporting objects; (2...

  9. Criminal groups and criminal subculture

    OpenAIRE

    Romanova N.M.

    2013-01-01

    The paper provides a classification of criminal groups, structured by the following parameters: a) operation mode (secret/open), b) law-enforcement and administrative support (presence/absence). We describe four types of criminal groups: a) legitimized criminal organization, b) secret criminal organization engaged in illegal business, c) secret general crime group, and d) general crime group operating openly. The four types differ in the content of criminal subculture. Modern criminal subcult...

  10. Group Cooperation in Outdoor Education

    Science.gov (United States)

    Matthews, Bruce E.

    1978-01-01

    Utilizing the Beatles' Yellow Submarine fantasy (e.g., the Blue Meanies), this outdoor education program is designed for sixth graders and special education students. Activities developed at the Cortland Resident Outdoor Education Camp include a series of group stress/challenge activities to be accomplished by everyone in the group, as a group.…

  11. Reinterpreting between-group inequality

    NARCIS (Netherlands)

    Elbers, C.T.M.; Lanjouw, P.F.; Mistiaen, J.; Özler, B

    2008-01-01

    We evaluate observed inequality between population groups against a benchmark of the maximum between-group inequality attainable given the number and relative sizes of those groups under examination. Because our measure is normalized by these parameters, drawing comparisons across different settings

  12. Ability Grouping in Social Studies.

    Science.gov (United States)

    Social Education, 1992

    1992-01-01

    Presents a position statement of the National Council for the Social Studies (NCSS). Reports that the NCSS objects to ability grouping in social studies. Argues that ability grouping disadvantages minority, handicapped, and low ability students. Suggests that ability grouping undermines the democratic ideals that should be the basis of the social…

  13. Conceptualizing Group Flow: A Framework

    Science.gov (United States)

    Duncan, Jana; West, Richard E.

    2018-01-01

    This literature review discusses the similarities in main themes between Csikszentmihályi theory of individual flow and Sawyer theory of group flow, and compares Sawyer's theory with existing concepts in the literature on group work both in education and business. Because much creativity and innovation occurs within groups, understanding group…

  14. Diagram Techniques in Group Theory

    Science.gov (United States)

    Stedman, Geoffrey E.

    2009-09-01

    Preface; 1. Elementary examples; 2. Angular momentum coupling diagram techniques; 3. Extension to compact simple phase groups; 4. Symmetric and unitary groups; 5. Lie groups and Lie algebras; 6. Polarisation dependence of multiphoton processes; 7. Quantum field theoretic diagram techniques for atomic systems; 8. Applications; Appendix; References; Indexes.

  15. Designing for informed group formation

    DEFF Research Database (Denmark)

    Nicolajsen, Hanne Westh; Juel Jacobsen, Alice; Riis, Marianne

    2012-01-01

    A new design ―project preparation‖ preparing for the group formation in problem based project work is proposed and investigated. The main problem is to overcome group formation based on existing relations. The hypothesis is that theme development and group formation are somewhat counterproductive...

  16. Working with Difficult Group Members.

    Science.gov (United States)

    Kottler, Jeffrey A.

    1994-01-01

    Describes types of group members who are challenging in group settings including entitled, manipulative, and character-disordered clients. Provides suggestions for working with these group members, either as isolated cases or as homogenous populations, emphasizing the protection of other clients' rights. Includes 31 references. (Author/CRR)

  17. K-Kolmogorov cohomology groups

    International Nuclear Information System (INIS)

    Abd El-Sattar, A. Dabbour.

    1986-07-01

    In the present work we use the idea of K-groups to give a description of certain modification of the Kolmogorov cohomology groups for the case of a pair (G,G') of discrete coefficient groups. Their induced homomorphisms and coboundary operators are also defined, and then we study the resulting construction from the point of view of Eilenberg-Steenrod axioms. (author)

  18. Ultrafilters and topologies on groups

    CERN Document Server

    Zelenyuk, Yevhen

    2011-01-01

    This book presents the relationship between ultrafilters and topologies on groups. It shows how ultrafilters are used in constructing topologies on groups with extremal properties and how topologies on groups serve in deriving algebraic results aboutultrafilters. Topics covered include: topological and left topological groups, ultrafilter semigroups, local homomorphisms and automorphisms, subgroups and ideal structure of ßG, almost maximal spaces and projectives of finite semigroups, resolvability of groups. This is a self-contained book aimed at graduate students and researchers working in to

  19. Group supervision for general practitioners

    DEFF Research Database (Denmark)

    Galina Nielsen, Helena; Sofie Davidsen, Annette; Dalsted, Rikke

    2013-01-01

    AIM: Group supervision is a sparsely researched method for professional development in general practice. The aim of this study was to explore general practitioners' (GPs') experiences of the benefits of group supervision for improving the treatment of mental disorders. METHODS: One long-establish......AIM: Group supervision is a sparsely researched method for professional development in general practice. The aim of this study was to explore general practitioners' (GPs') experiences of the benefits of group supervision for improving the treatment of mental disorders. METHODS: One long...... considered important prerequisites for disclosing and discussing professional problems. CONCLUSION: The results of this study indicate that participation in a supervision group can be beneficial for maintaining and developing GPs' skills in dealing with patients with mental health problems. Group supervision...... influenced other areas of GPs' professional lives as well. However, more studies are needed to assess the impact of supervision groups....

  20. Group percolation in interdependent networks

    Science.gov (United States)

    Wang, Zexun; Zhou, Dong; Hu, Yanqing

    2018-03-01

    In many real network systems, nodes usually cooperate with each other and form groups to enhance their robustness to risks. This motivates us to study an alternative type of percolation, group percolation, in interdependent networks under attack. In this model, nodes belonging to the same group survive or fail together. We develop a theoretical framework for this group percolation and find that the formation of groups can improve the resilience of interdependent networks significantly. However, the percolation transition is always of first order, regardless of the distribution of group sizes. As an application, we map the interdependent networks with intersimilarity structures, which have attracted much attention recently, onto the group percolation and confirm the nonexistence of continuous phase transitions.

  1. The "group" in obstetric psychoprophylaxis.

    Science.gov (United States)

    Volpe, B; Tenaglia, F; Fede, T; Cerutti, R

    1983-01-01

    In the practice of obstetric psychoprophylaxis every method employed considered always the group both from a psychological and a pedagogic point of view. Today the group of pregnant women (or couples) is considered under various aspects: - psychological: the group as a support for members with regard to maternal and parental emotional feelings; - anthropological: the group fills up an empty vital space and becomes a "rite de passage" from a state of social identity to another one; - social: the group is a significative cultural intermediary between health services and the women-patient. The knowledge of these aspects becomes an important methodological support for group conductors. We present an analysis of our experience with groups and how this has affected the Psychoprophylaxis in the last years.

  2. Group lending and the role of the group leader

    OpenAIRE

    Eijkel, van, R.; Hermes, N.; Lensink, B.W.

    2011-01-01

    This paper investigates strategic monitoring behavior within group lending. We show that monitoring efforts of group members differ in equilibrium due to the asymmetry between members in terms of future profits. In particular, we show that the entrepreneur with the highest future profits also puts in the highest monitoring effort. Moreover, monitoring efforts differ between group members due to free-riding: one member reduces her level of monitoring if the other increases her monitoring effor...

  3. Clifford algebras, spinors, spin groups and covering groups

    International Nuclear Information System (INIS)

    Magneville, C.; Pansart, J.P.

    1991-03-01

    The Dirac equation uses matrices named Υ matrices which are representations of general algebraic structures associated with a metric space. These algebras are the Clifford algebras. In the first past, these algebras are studied. Then the notion of spinor is developed. It is shown that Majorana and Weyl spinors only exist for some particular metric space. In the second part, Clifford and spinor groups are studied. They may be interpreted as the extension of the notion of orthogonal group for Clifford algebras and their spaces for representation. The rotation of a spinor is computed. In the last part, the connexion between the spinor groups and the Universal Covering Groups is presented [fr

  4. Group lending and the role of the group leader

    NARCIS (Netherlands)

    Eijkel, van R.; Hermes, N.; Lensink, B.W.

    2011-01-01

    This paper investigates strategic monitoring behavior within group lending. We show that monitoring efforts of group members differ in equilibrium due to the asymmetry between members in terms of future profits. In particular, we show that the entrepreneur with the highest future profits also puts

  5. Group lending and the role of the group leader

    NARCIS (Netherlands)

    van Eijkel, R.; Hermes, C.L.M.; Lensink, B.W.

    This paper investigates strategic monitoring behavior within group lending. We show that monitoring efforts of group members differ in equilibrium due to the asymmetry between members in terms of future profits. In particular, we show that the entrepreneur with the highest future profits also puts

  6. Working with Group-Tasks and Group Cohesiveness

    Science.gov (United States)

    Anwar, Khoirul

    2016-01-01

    This study aimed at exploring the connection between the use of group task and group cohesiveness. This study is very important because the nature of the learner's success is largely determined by the values of cooperation, interaction, and understanding of the learning objectives together. Subjects of this study are 28 students on the course…

  7. Group Journaling: A Tool for Reflection, Fun and Group Development

    Science.gov (United States)

    Asfeldt, Morten

    2012-01-01

    Personal journaling is common practice in outdoor programs and is an important means of reflection and meaning-making. For over 20 years the author has used group journals to promote reflection and understanding, raise important questions, explore difficult issues, develop writing and speaking skills, and enhance group development. In this…

  8. Group Milieu in systemic and psychodynamic group therapy

    DEFF Research Database (Denmark)

    Lau, Marianne Engelbrecht; Kristensen, Ellids

    Objectives: A recent meta-analysis also concluded that psychotherapeutic approaches are beneficial for adult with a history of CSA and maintained for at least six months follow-up. The results suggest that different characteristics of therapy moderate the therapeutic outcome. We found in a random......Objectives: A recent meta-analysis also concluded that psychotherapeutic approaches are beneficial for adult with a history of CSA and maintained for at least six months follow-up. The results suggest that different characteristics of therapy moderate the therapeutic outcome. We found...... in a randomized study of systemic versus psychodynamic group therapy, that the short-term outcome for patients who received systemic group psychotherapy was significantly better than the outcome for patients who received psychodynamic group psychotherapy. The current study assessed the group milieu in both groups....... Methods: This randomized prospective study included 106 women: 52 assigned to psychodynamic group psychotherapy and 54 assigned to systemic group psychotherapy. The Group Environment Scale (GES) was filled in the mid phase of therapy and analysed in three dimensions and 10 subscales. Results: The systemic...

  9. Geometric group theory an introduction

    CERN Document Server

    Löh, Clara

    2017-01-01

    Inspired by classical geometry, geometric group theory has in turn provided a variety of applications to geometry, topology, group theory, number theory and graph theory. This carefully written textbook provides a rigorous introduction to this rapidly evolving field whose methods have proven to be powerful tools in neighbouring fields such as geometric topology. Geometric group theory is the study of finitely generated groups via the geometry of their associated Cayley graphs. It turns out that the essence of the geometry of such groups is captured in the key notion of quasi-isometry, a large-scale version of isometry whose invariants include growth types, curvature conditions, boundary constructions, and amenability. This book covers the foundations of quasi-geometry of groups at an advanced undergraduate level. The subject is illustrated by many elementary examples, outlooks on applications, as well as an extensive collection of exercises.

  10. Group Analytic Psychotherapy in Brazil.

    Science.gov (United States)

    Penna, Carla; Castanho, Pablo

    2015-10-01

    Group analytic practice in Brazil began quite early. Highly influenced by the Argentinean Pichon-Rivière, it enjoyed a major development from the 1950s to the early 1980s. Beginning in the 1970s, different factors undermined its development and eventually led to its steep decline. From the mid 1980s on, the number of people looking for either group analytic psychotherapy or group analytic training decreased considerably. Group analytic psychotherapy societies struggled to survive and most of them had to close their doors in the 1990s and the following decade. Psychiatric reform and the new public health system have stimulated a new demand for groups in Brazil. Developments in the public and not-for-profit sectors, combined with theoretical and practical research in universities, present promising new perspectives for group analytic psychotherapy in Brazil nowadays.

  11. Modelling group dynamic animal movement

    DEFF Research Database (Denmark)

    Langrock, Roland; Hopcraft, J. Grant C.; Blackwell, Paul G.

    2014-01-01

    makes its movement decisions relative to the group centroid. The basic idea is framed within the flexible class of hidden Markov models, extending previous work on modelling animal movement by means of multi-state random walks. While in simulation experiments parameter estimators exhibit some bias......, to date, practical statistical methods which can include group dynamics in animal movement models have been lacking. We consider a flexible modelling framework that distinguishes a group-level model, describing the movement of the group's centre, and an individual-level model, such that each individual......Group dynamic movement is a fundamental aspect of many species' movements. The need to adequately model individuals' interactions with other group members has been recognised, particularly in order to differentiate the role of social forces in individual movement from environmental factors. However...

  12. Discrepancy in abo blood grouping

    International Nuclear Information System (INIS)

    Khan, M.N.; Ahmed, Z.; Khan, T.A.

    2013-01-01

    Discrepancies in blood typing is one of the major reasons in eliciting a transfusion reaction. These discrepancies can be avoided through detailed analysis for the blood typing. Here, we report a subgroup of blood group type-B in the ABO system. Donor's blood was analyzed by employing commercial antisera for blood grouping. The results of forward (known antisera) and reverse (known antigen) reaction were not complimentary. A detailed analysis using the standard protocols by American Association of Blood Banking revealed the blood type as a variant of blood group-B instead of blood group-O. This is suggestive of the fact that blood group typing should be performed with extreme care and any divergence, if identified, should be properly resolved to avoid transfusion reactions. Moreover, a major study to determine the blood group variants in Pakistani population is needed. (author)

  13. The didactics of group work

    DEFF Research Database (Denmark)

    Christensen, Gerd

    2017-01-01

    The aim of this paper is to discuss aims and means of group work as a teaching and learning method. In Denmark, group work has been implemented at all levels of education since the 1970s from primary school to university but also in training sessions in organizations. The discussion in this paper...... will take its point of departure in pedagogical textbook introductions where group work is often presented as a means to learning social skills and co-workability. However, as most students and teachers know, this is not always the case. Observations of long-term group work show that this can be a tough...... experience for the students (Christensen 2013). Contrary to expectations, the group work seemed to foster anti-social behavior and development of selfish skills. The paper will therefore conclude by suggesting how the (often) laissez-faire group pedagogy, which is dominant in Denmark, could be improved...

  14. Uniquely Strongly Clean Group Rings

    Institute of Scientific and Technical Information of China (English)

    WANG XIU-LAN

    2012-01-01

    A ring R is called clean if every element is the sum of an idempotent and a unit,and R is called uniquely strongly clean (USC for short) if every element is uniquely the sum of an idempotent and a unit that commute.In this article,some conditions on a ring R and a group G such that RG is clean are given.It is also shown that if G is a locally finite group,then the group ring RG is USC if and only if R is USC,and G is a 2-group.The left uniquely exchange group ring,as a middle ring of the uniquely clean ring and the USC ring,does not possess this property,and so does the uniquely exchange group ring.

  15. Group theory and its applications

    CERN Document Server

    Patra, Prasanta Kumar

    2018-01-01

    Every molecule possesses symmetry and hence has symmetry operations and symmetry elements. From symmetry properties of a system we can deduce its significant physical results. Consequently it is essential to operations of a system forms a group. Group theory is an abstract mathematical tool that underlies the study of symmetry and invariance. By using the concepts of symmetry and group theory, it is possible to obtain the members of complete set of known basis functions of the various irreducible representations of the group. I practice this is achieved by applying the projection operators to linear combinations of atomic orbital (LCAO) when the valence electrons are tightly bound to the ions, to orthogonalized plane waves (OPW) when valence electrons are nearly free and to the other given functions that are judged to the particular system under consideration. In solid state physics the group theory is indispensable in the context of finding the energy bands of electrons in solids. Group theory can be applied...

  16. Physics of the Lorentz Group

    Science.gov (United States)

    Başkal, Sibel

    2015-11-01

    This book explains the Lorentz mathematical group in a language familiar to physicists. While the three-dimensional rotation group is one of the standard mathematical tools in physics, the Lorentz group of the four-dimensional Minkowski space is still very strange to most present-day physicists. It plays an essential role in understanding particles moving at close to light speed and is becoming the essential language for quantum optics, classical optics, and information science. The book is based on papers and books published by the authors on the representations of the Lorentz group based on harmonic oscillators and their applications to high-energy physics and to Wigner functions applicable to quantum optics. It also covers the two-by-two representations of the Lorentz group applicable to ray optics, including cavity, multilayer and lens optics, as well as representations of the Lorentz group applicable to Stokes parameters and the Poincaré sphere on polarization optics.

  17. Groups, graphs and random walks

    CERN Document Server

    Salvatori, Maura; Sava-Huss, Ecaterina

    2017-01-01

    An accessible and panoramic account of the theory of random walks on groups and graphs, stressing the strong connections of the theory with other branches of mathematics, including geometric and combinatorial group theory, potential analysis, and theoretical computer science. This volume brings together original surveys and research-expository papers from renowned and leading experts, many of whom spoke at the workshop 'Groups, Graphs and Random Walks' celebrating the sixtieth birthday of Wolfgang Woess in Cortona, Italy. Topics include: growth and amenability of groups; Schrödinger operators and symbolic dynamics; ergodic theorems; Thompson's group F; Poisson boundaries; probability theory on buildings and groups of Lie type; structure trees for edge cuts in networks; and mathematical crystallography. In what is currently a fast-growing area of mathematics, this book provides an up-to-date and valuable reference for both researchers and graduate students, from which future research activities will undoubted...

  18. Group identity and positive deviance in work groups.

    Science.gov (United States)

    Kim, Moon Joung; Choi, Jin Nam

    2017-12-05

    This study examines why and how identity cognitions, including group identification and individual differentiation, influence the positive deviance of employees. We identify the risk-taking intention of employees as a critical psychological mechanism to overcome stigma-induced identity threat of positive deviance. The analysis of data collected from 293 members comprising 66 work teams reveals that the relationship between individual differentiation and positive deviance is partially mediated by risk-taking intention. The indirect effect of group identification on positive deviance through risk-taking intention is also significant and positive in groups with low conformity pressure, whereas the same indirect effect is neutralized in groups with high conformity pressure. The current analysis offers new insights into the way the group context and the identity cognition of members explain the development of positive deviance and workplace creativity.

  19. Social Identity and Group Contests

    OpenAIRE

    Zaunbrecher, Henrik; Riedl, Arno

    2016-01-01

    Social identity has been shown to successfully enhance cooperation and effort in cooperation and coordination games. Little is known about the causal effect of social identity on the propensity to engage in group conflict. In this paper we explore theoretically and experimentally whether social identity increases investments in group contests. We show theoretically that increased social identity with the own group implies higher investments in Tullock contests. Empirically we find that induce...

  20. Designing for informed group formation

    DEFF Research Database (Denmark)

    Nicolajsen, Hanne Westh; Juel Jacobsen, Alice; Riis, Marianne

    2012-01-01

    A new design ―project preparation‖ preparing for the group formation in problem based project work is proposed and investigated. The main problem is to overcome group formation based on existing relations. The hypothesis is that theme development and group formation are somewhat counterproductive....... Following research based design methodology an experiment separating the two was initiated.This was to provide for more openness and creativity in contrast to a design in which existing relations seem predominant....