Search results for "Halide"
showing 10 items of 324 documents
Friedel-Crafts catalytic alkylations using rare earth-based mineral supports
1998
Abstract Rare earth halides supported on mineral supports (K10 montmorillonite and silica) were investigated as catalysts for Friedel-Crafts alkylations. This project concerns the replacement of the widely used Lewis acid AlCl3 in Friedel-Crafts reactions by environmentally friendly catalysts in that they circumvent the production of aluminum waste. The catalytic activity of these heterogeneous catalysts was established in a series of alkylations of aromatic compounds.
Dimethyl 2-(1-methyl-3-oxo-1,3-dihydroisobenzofuran-1-yl)malonate
2020
In this work we report a facile access to a 3,3-disubstituted isobenzofuranone by tandem addition/cyclization reaction to methyl 2-acetylbenzoate in the presence of dimethyl malonate, under basic conditions.
Modeling bismuth insertion in 1D hybrid lead halide TMSO(Pb x Bi y )I3 pseudo-perovskites
2022
Abstract The structures of the disordered 1D (pseudo-)perovskites of general TMSO(Pb x Bi y )I3 formulation [TMSO = (CH3)3SO+], obtained by doping the TMSOPbI3 species with Bi3+ ions, are investigated through the formulation of a statistical model of correlated disorder, which addresses the sequences of differently occupied BI6 face-sharing octahedra (B = Pb, Bi or vacant site) within ideally infinite [(BI3)−] n chains. The x-ray diffraction patterns simulated on the basis of the model are matched to the experimental traces, which show many broad peaks with awkward (nearly trapezoidal) shapes, under the assumption that the charge balance is fully accomplished within each chain. The analysis…
State of the art and prospects for halide perovskite nanocrystals
2021
Financiado para publicación en acceso aberto: Universidade de Vigo/CISUG Metal-halide perovskites have rapidly emerged as one of the most promising materials of the 21st century, with many exciting properties and great potential for a broad range of applications, from photovoltaics to optoelectronics and photocatalysis. The ease with which metal-halide perovskites can be synthesized in the form of brightly luminescent colloidal nanocrystals, as well as their tunable and intriguing optical and electronic properties, has attracted researchers from different disciplines of science and technology. In the last few years, there has been a significant progress in the shape-controlled synthesis of …
Purcell Enhancement and Wavelength Shift of Emitted Light by CsPbI3 Perovskite Nanocrystals Coupled to Hyperbolic Metamaterials
2020
Manipulation of the exciton emission rate in nanocrystals of lead halide perovskites (LHPs) was demonstrated by means of coupling of excitons with a hyperbolic metamaterial (HMM) consisting of alternating thin metal (Ag) and dielectric (LiF) layers. Such a coupling is found to induce an increase of the exciton radiative recombination rate by more than a factor of three due to the Purcell effect when the distance between the quantum emitter and HMM is nominally as small as 10 nm, which coincides well with the results of our theoretical analysis. Besides, an effect of the coupling-induced long wavelength shift of the exciton emission spectrum is detected and modeled. These results can be of i…
Halogens and trace metal emissions from the ongoing 2008 summit eruption of Kīlauea volcano, Hawai`i
2012
Volcanic plume samples taken in 2008 and 2009 from the Halemàumàu eruption at Kīlauea provide new insights into Kīlauea's degassing behaviour. The Cl, F and S gas systematics are consistent with syn-eruptive East Rift Zone measurements suggesting that the new Halemàumàu activity is fed by a convecting magma reservoir shallower than the main summit storage area. Comparison with degassing models suggests that plume halogen and S composition is controlled by very shallow (<3m depth) decompression degassing and progressive loss of volatiles at the surface. Compared to most other global volcanoes, Kīlauea's gases are depleted in Cl with respect to S. Similarly, our Br/S and I/S ratio measurem…
On the Way to Optoionics
2020
Discussions with Michael Grätzel, Ursula Röthlisberger, Robert A. Evarestov and Bettina V. Lotsch are gratefully acknowledged.
Optoelectronic devices based on caesium lead halide perovskite nanocrystals
2020
Tradicionalmente, la implementación de materiales activos en circuitos fotónicos integrados se ha basado en la utilización de semiconductores III-V y vidrios y materiales ferroeléctricos dopados con iones de tierras raras. Sin embargo, en la actualidad existe una alternativa basada en (nano) materiales sintetizados por técnicas de química coloidal. La posibilidad de procesar nanomateriales en solución permite fabricar semiconductores con propiedades ópticas (emisión, absorción, dispersión de luz) que pueden diseñarse durante la síntesis. Además, su naturaleza coloidal permite integrarlas en cualquier arquitectura óptica mediante sencillas técnicas de impresión en tinta. En este contexto, lo…
Four-Component Relativistic DFT Calculations of C-13 Chemical Shifts of Halogenated Natural Substances
2015
We have calculated the (13) C NMR chemical shifts of a large ensemble of halogenated organic molecules (81 molecules for a total of 250 experimental (13) C NMR data at four different levels of theory), ranging from small rigid organic compounds, used to benchmark the performance of various levels of theory, to natural substances of marine origin with conformational degrees of freedom. Carbon atoms bonded to heavy halogen atoms, particularly bromine and iodine, are known to be rather challenging when it comes to the prediction of their chemical shifts by quantum methods, due to relativistic effects. In this paper, we have applied the state-of-the-art four-component relativistic density funct…
Reaction of LiArMe6 (ArMe6ArMe6 = C6H3-2,6-(C6H2-2,4,6-Me3)2) with indium(I)chloride yields three m-terphenyl stabilized mixed-valent organoindium su…
2016
Indium(I)chloride reacts with LiArMe6 (ArMe6 = C6H3-2,6-(C6H2-2,4,6-Me3)2) in THF to give three new mixed-valent organoindium subhalides. While the 1:1 reaction of InCl with LiArMe6 yields the known metal-rich cluster In8(ArMe6)4 (1), the use of freshly prepared LiArMe6 led to incorporation of iodide, derived from the synthesis of LiArMe6, into the structures, to afford In4(ArMe6)4I2 (2) along with minor amounts of In3(ArMe6)3I2 (3). When the same reaction was performed in 4:3 stoichiometry, the mixed-halide compound In3(ArMe6)3ClI (4) was obtained. Further increasing the chloride:aryl ligand ratio resulted in the formation of the known mixed-halide species In4(ArMe6)4Cl2I2 that can also be…