@article{1454, author = {{Grynko, Yevgen and Zentgraf, Thomas and Meier, Torsten and Förstner, Jens}}, issn = {{0946-2171}}, journal = {{Applied Physics B}}, keywords = {{tet_topic_meta, tet_topic_shg}}, number = {{9}}, pages = {{242}}, publisher = {{Springer Nature}}, title = {{{Simulations of high harmonic generation from plasmonic nanoparticles in the terahertz region}}}, doi = {{10.1007/s00340-016-6510-0}}, volume = {{122}}, year = {{2016}}, } @article{1456, author = {{Ye, Weimin and Zeuner, Franziska and Li, Xin and Reineke, Bernhard and He, Shan and Qiu, Cheng-Wei and Liu, Juan and Wang, Yongtian and Zhang, Shuang and Zentgraf, Thomas}}, issn = {{2041-1723}}, journal = {{Nature Communications}}, publisher = {{Springer Nature}}, title = {{{Spin and wavelength multiplexed nonlinear metasurface holography}}}, doi = {{10.1038/ncomms11930}}, volume = {{7}}, year = {{2016}}, } @article{1459, author = {{Chen, Shumei and Zeuner, Franziska and Weismann, Martin and Reineke, Bernhard and Li, Guixin and Valev, Ventsislav Kolev and Cheah, Kok Wai and Panoiu, Nicolae Coriolan and Zentgraf, Thomas and Zhang, Shuang}}, issn = {{0935-9648}}, journal = {{Advanced Materials}}, number = {{15}}, pages = {{2992--2999}}, publisher = {{Wiley-Blackwell}}, title = {{{Giant Nonlinear Optical Activity of Achiral Origin in Planar Metasurfaces with Quadratic and Cubic Nonlinearities}}}, doi = {{10.1002/adma.201505640}}, volume = {{28}}, year = {{2016}}, } @article{1457, author = {{Li, Guixin and Zentgraf, Thomas and Zhang, Shuang}}, issn = {{1745-2473}}, journal = {{Nature Physics}}, number = {{8}}, pages = {{736--740}}, publisher = {{Springer Nature}}, title = {{{Rotational Doppler effect in nonlinear optics}}}, doi = {{10.1038/nphys3699}}, volume = {{12}}, year = {{2016}}, } @article{1458, author = {{Probst, Heike and Zentgraf, Thomas}}, issn = {{0031-9252}}, journal = {{Physik in unserer Zeit}}, number = {{2}}, pages = {{84--89}}, publisher = {{Wiley-Blackwell}}, title = {{{Designermaterialien für nichtlineare Optik}}}, doi = {{10.1002/piuz.201601427}}, volume = {{47}}, year = {{2016}}, } @article{58590, abstract = {{AbstractSynthesis and characterisation of a disubstituted phenanthroline, “dbt‐phen” (“dbt‐phen”, 2,9‐di(benzothiazolino)‐1,10‐phenanthroline) 1 and its CuI, CuII, NiII, ZnII and FeII complexes are reported. Three different coordination modes of the ligand viz., bis(didentate), tridentate and tetradentate are observed. Under various experimental conditions, 1 forms a double‐stranded dicopper(I)helicate, [CuI2(dbt‐phen)2]2+ 2; a mono(dbt‐phen) copper(II) complex, [CuII(dbt‐phen)(H2O)2]2+ 3, a NiII complex [Ni(dbt‐ phen)(NCMe)2(OH2)]2+ 4, a bis(dbt‐phen) zinc(II) complex, [ZnII(dbt‐phen)2]2+ 5 and a pseudo‐octahedral complex [FeII(dbt‐phen)Br2] 6. Crystal packing feature of the dicopper helicate [CuI(dbt‐phen)]2[BF4]2, 2+[BF4]2 reveals novel short contacts between BF4− ions and the hydrogens of the phenyl rings leading to the peculiar double stranded and helical topology. The complex [CuII(dbt‐phen)(OH2)2(ClO4)][ClO4], 3+[ClO4] exhibits both intra‐ and inter‐molecular H‐bonding interactions. 1H NMR spectral features of the ligand, copper(I) and zinc(II) complexes indicate that the free ligand and the copper(I) complex retain their solid state structures whereas the zinc(II) complex undergoes structural changes in solution.}}, author = {{Begum, Ameerunisha and Seewald, Oliver and Flörke, Ulrich and Henkel, Gerald}}, issn = {{2365-6549}}, journal = {{ChemistrySelect}}, number = {{10}}, pages = {{2257--2264}}, publisher = {{Wiley}}, title = {{{Structural and NMR Spectroscopic Investigations of CuI, CuII, NiII, ZnII and FeII Complexes of 2, 9‐Di‐(Benzothiazolino)‐1,10‐Phenanthroline}}}, doi = {{10.1002/slct.201600505}}, volume = {{1}}, year = {{2016}}, } @book{58589, author = {{Fischer, Matthias and Seewald, Oliver and Schöppner, Volker}}, editor = {{Kniffka, Wieland and Eichmann, Michael and Witt, Gerd}}, isbn = {{9783446450172}}, publisher = {{Carl Hanser Verlag GmbH & Co. KG}}, title = {{{Chemische Oberflächennachbehandlung von Ultem 9085 Bauteilen / Chemical Surface Treatment of Ultem 9085 Parts}}}, doi = {{10.3139/9783446450608.010}}, year = {{2016}}, } @article{37983, abstract = {{

Taking Control!The binary catalyst system composed of MoO3and an organic phoshponium salt [Bu4P]X proved very efficient to produce oleochemical cyclic carbonates from renewables.

}}, author = {{Tenhumberg, Nils and Büttner, Hendrik and Schäffner, Benjamin and Kruse, Daniela and Blumenstein, Michael and Werner, Thomas}}, issn = {{1463-9262}}, journal = {{Green Chemistry}}, keywords = {{T1, T3, CSSD}}, number = {{13}}, pages = {{3775--3788}}, publisher = {{Royal Society of Chemistry (RSC)}}, title = {{{Cooperative catalyst system for the synthesis of oleochemical cyclic carbonates from CO2and renewables}}}, doi = {{10.1039/c6gc00671j}}, volume = {{18}}, year = {{2016}}, } @article{37989, author = {{Schirmer, Marie-Luis and Jopp, Stefan and Holz, Jens and Spannenberg, Anke and Werner, Thomas}}, issn = {{1615-4150}}, journal = {{Advanced Synthesis and Catalysis}}, keywords = {{T2, CSSD}}, number = {{1}}, pages = {{26--29}}, publisher = {{Wiley}}, title = {{{Organocatalyzed Reduction of Tertiary Phosphine Oxides}}}, doi = {{10.1002/adsc.201500762}}, volume = {{358}}, year = {{2016}}, } @article{37984, abstract = {{The Wittig reaction is a fundamental transformation for the preparation of alkenes from carbonyl compounds and phosphonium ylides. The ylides are prepared prior to the olefination step from the respective phosphonium salts by deprotonation utilizing strong bases. A first free-base catalytic Wittig reaction for the preparation of highly functionalized alkenes was based on tributylphosphane as the catalyst. Subsequently we developed a system employing a phospholene oxide as a pre-catalyst and trimethoxysilane as reducing agent which operates under milder conditions. The title compounds, (E)-3-benzylidenepyrrolidine-2,5-dione, C11H9NO2, (I), the methylpyrrolidine derivative, C12H11NO2, (II), and thetert-butylpyrrolidine derivative, C15H17NO2, (III), have been synthesized by base-free catalytic Wittig reactions. In the crystal of (I), molecules are linked into centrosymmetric dimersviapairs of N—H...O hydrogen bonds. Furthermore, in the crystal structure of (III), there are two molecules in the asymmetric unit, whereas in (I) and (II), only one molecule is present.}}, author = {{Schirmer, Marie-Luis and Spannenberg, Anke and Werner, Thomas}}, issn = {{2053-2296}}, journal = {{Acta Crystallographica Section C Structural Chemistry}}, keywords = {{T2}}, number = {{6}}, pages = {{504--508}}, publisher = {{International Union of Crystallography (IUCr)}}, title = {{{Highly functionalized alkenes produced from base-free organocatalytic Wittig reactions: (E)-3-benzylidenepyrrolidine-2,5-dione, (E)-3-benzylidene-1-methylpyrrolidine-2,5-dione and (E)-3-benzylidene-1-tert-butylpyrrolidine-2,5-dione}}}, doi = {{10.1107/s2053229616008159}}, volume = {{72}}, year = {{2016}}, } @article{37981, abstract = {{

The lithium tert-butoxide catalyzed addition of CS2 to epoxides and thiiranes under mild conditions is reported. A mechanism has been proposed taking into account the regio- and stereochemical outcome of the reaction.

}}, author = {{Diebler, J. and Spannenberg, A. and Werner, Thomas}}, issn = {{1477-0520}}, journal = {{Organic and Biomolecular Chemistry}}, keywords = {{CSSD}}, number = {{31}}, pages = {{7480--7489}}, publisher = {{Royal Society of Chemistry (RSC)}}, title = {{{Atom economical synthesis of di- and trithiocarbonates by the lithium tert-butoxide catalyzed addition of carbon disulfide to epoxides and thiiranes}}}, doi = {{10.1039/c6ob01081d}}, volume = {{14}}, year = {{2016}}, } @article{37987, abstract = {{

A novel zinc based binary catalytic system for the synthesis of cyclic carbonates under mild and solvent-free conditions utilizing CO2as a C1 building block is reported.

}}, author = {{Desens, Willi and Kohrt, Christina and Spannenberg, Anke and Werner, Thomas}}, issn = {{2052-4129}}, journal = {{Organic Chemistry Frontiers}}, keywords = {{T1, T3, CSSD}}, number = {{2}}, pages = {{156--164}}, publisher = {{Royal Society of Chemistry (RSC)}}, title = {{{A novel zinc based binary catalytic system for CO2utilization under mild conditions}}}, doi = {{10.1039/c5qo00356c}}, volume = {{3}}, year = {{2016}}, } @article{37982, author = {{Diebler, Johannes and Komber, Hartmut and Häußler, Liane and Lederer, Albena and Werner, Thomas}}, issn = {{0024-9297}}, journal = {{Macromolecules}}, keywords = {{CSSD}}, number = {{13}}, pages = {{4723--4731}}, publisher = {{American Chemical Society (ACS)}}, title = {{{Alkoxide-Initiated Regioselective Coupling of Carbon Disulfide and Terminal Epoxides for the Synthesis of Strongly Alternating Copolymers}}}, doi = {{10.1021/acs.macromol.6b00728}}, volume = {{49}}, year = {{2016}}, } @article{37980, author = {{Büttner, Hendrik and Grimmer, Christoph and Steinbauer, Johannes and Werner, Thomas}}, issn = {{2168-0485}}, journal = {{ACS Sustainable Chemistry & Engineering}}, keywords = {{T1, T3, CSSD}}, number = {{9}}, pages = {{4805--4814}}, publisher = {{American Chemical Society (ACS)}}, title = {{{Iron-Based Binary Catalytic System for the Valorization of CO2 into Biobased Cyclic Carbonates}}}, doi = {{10.1021/acssuschemeng.6b01092}}, volume = {{4}}, year = {{2016}}, } @article{37986, author = {{Schirmer, Marie-Luis and Adomeit, Sven and Spannenberg, Anke and Werner, Thomas}}, issn = {{0947-6539}}, journal = {{Chemistry - A European Journal}}, keywords = {{T2, CSSD}}, number = {{7}}, pages = {{2458--2465}}, publisher = {{Wiley}}, title = {{{Novel Base-Free Catalytic Wittig Reaction for the Synthesis of Highly Functionalized Alkenes}}}, doi = {{10.1002/chem.201503744}}, volume = {{22}}, year = {{2016}}, } @article{37985, author = {{Diebler, Johannes and Spannenberg, Anke and Werner, Thomas}}, issn = {{1867-3880}}, journal = {{ChemCatChem}}, keywords = {{CSSD}}, number = {{12}}, pages = {{2027--2030}}, publisher = {{Wiley}}, title = {{{Regio- and Stereoselective Synthesis of Dithiocarbonates under Ambient and Solvent-Free Conditions}}}, doi = {{10.1002/cctc.201600242}}, volume = {{8}}, year = {{2016}}, } @article{37988, author = {{Desens, Willi and Werner, Thomas}}, issn = {{1615-4150}}, journal = {{Advanced Synthesis and Catalysis}}, keywords = {{T1, CSSD}}, number = {{4}}, pages = {{622--630}}, publisher = {{Wiley}}, title = {{{Convergent Activation Concept for CO2Fixation in Carbonates}}}, doi = {{10.1002/adsc.201500941}}, volume = {{358}}, year = {{2016}}, } @inbook{62857, abstract = {{The recovery of rare earth metals from secondary sources has attracted much attention due to their ever expanding demand in the high-tech industry. The studies reported here focus on the hydrometallurgical recovery of lanthanum and cerium from spent fluid catalytic cracking (FCC) catalysts in a two-step process: leaching with nitric acid and solvent extraction by tri-n-butyl phosphate (TBP) and di(2-ethylhexyl)phosphoric acid (D2EHPA). The experiments show a high dissolution yield of about 93% lanthanum and 42% cerium in a single leaching step with 2 M (126 g/L) HNO3 at 80 °C; only 11% aluminum has been dissolved simultaneously. In the subsequent solvent extraction step the best results for this leach liquor could be achieved using a 1:1 mixture of 25% (v/v) TBP (0.92 M) and 25% (v/v) D2EHPA (0.76 M) in n-decane without the need for any pH adjustment. In that case La(III) and Ce(III) can be extracted with 60% and 74% yield respectively in one stage from the majority of accompanying matrix elements. In particular no extraction of Al(III) could be observed under these conditions.}}, author = {{Wenzel, M. and Schnaars, Kathleen and Kelly, N. and Götzke, L. and Robles, S. M. and Kretschmer, K. and Le, Phuc Nguyen and Tung, Dang Thanh and Luong, Nguyen Huu and Duc, Nguyen Anh and Sy, Dang Van and Gloe, K. and Weigand, J. J.}}, booktitle = {{Rare Metal Technology 2016}}, isbn = {{9783319486161}}, publisher = {{Springer International Publishing}}, title = {{{Hydrometallurgical Recovery of Rare Earth Metals from Spent FCC Catalysts}}}, doi = {{10.1007/978-3-319-48135-7_4}}, year = {{2016}}, } @article{10024, abstract = {{The influence of electronic many-body interactions, spin-orbit coupling, and thermal lattice vibrations on the electronic structure of lithium niobate is calculated from first principles. Self-energy calculations in the GW approximation show that the inclusion of self-consistency in the Green function G and the screened Coulomb potential W opens the band gap far stronger than found in previous G0W0 calculations but slightly overestimates its actual value due to the neglect of excitonic effects in W. A realistic frozen-lattice band gap of about 5.9 eV is obtained by combining hybrid density functional theory with the QSGW0 scheme. The renormalization of the band gap due to electron-phonon coupling, derived here using molecular dynamics as well as density functional perturbation theory, reduces this value by about 0.5 eV at room temperature. Spin-orbit coupling does not noticeably modify the fundamental gap but gives rise to a Rashba-like spin texture in the conduction band.}}, author = {{Riefer, Arthur and Friedrich, Michael and Sanna, Simone and Gerstmann, Uwe and Schindlmayr, Arno and Schmidt, Wolf Gero}}, issn = {{2469-9969}}, journal = {{Physical Review B}}, number = {{7}}, publisher = {{American Physical Society}}, title = {{{LiNbO3 electronic structure: Many-body interactions, spin-orbit coupling, and thermal effects}}}, doi = {{10.1103/PhysRevB.93.075205}}, volume = {{93}}, year = {{2016}}, } @article{10025, abstract = {{The phonon dispersions of the ferro‐ and paraelectric phase of LiTaO3 are calculated within density‐functional perturbation theory. The longitudinal optical phonon modes are theoretically derived and compared with available experimental data. Our results confirm the recent phonon assignment proposed by Margueron et al. [J. Appl. Phys. 111, 104105 (2012)] on the basis of spectroscopical studies. A comparison with the phonon band structure of the related material LiNbO3 shows minor differences that can be traced to the atomic‐mass difference between Ta and Nb. The presence of phonons with imaginary frequencies for the paraelectric phase suggests that it does not correspond to a minimum energy structure, and is compatible with an order‐disorder type phase transition.}}, author = {{Friedrich, Michael and Schindlmayr, Arno and Schmidt, Wolf Gero and Sanna, Simone}}, issn = {{1521-3951}}, journal = {{Physica Status Solidi B}}, number = {{4}}, pages = {{683--689}}, publisher = {{Wiley-VCH}}, title = {{{LiTaO3 phonon dispersion and ferroelectric transition calculated from first principles}}}, doi = {{10.1002/pssb.201552576}}, volume = {{253}}, year = {{2016}}, }