Search results for "Benzene"
showing 10 items of 1701 documents
Halogen bonding stabilizes a cis-azobenzene derivative in the solid state : A crystallographic study
2017
Crystals oftrans- andcis-isomers of a fluorinated azobenzene derivative have been prepared and characterized by single-crystal X-ray diffraction. The presence of F atoms on the aromatic core of the azobenzene increases the lifetime of the metastablecis-isomer, allowing single crystals of thecis-azobenzene to be grown. Structural analysis on thecis-azobenzene, complemented with density functional theory calculations, highlights the active role of the halogen-bond contact (N...I synthon) in promoting the stabilization of thecis-isomer. The presence of a long aliphatic chain on the azobenzene unit induces a phase segregation that stabilizes the molecular arrangement for both thetrans- andcis-i…
How important is roaming in the photodegradation of nitrobenzene?
2020
At low excitation energies nitrobenzene photoreleases NO with low translational and rotational energy, while at higher excitation energies NO is photoreleased with both low and high translational and rotational energy. The fast products are formed through a singlet-triplet crossing (STC) region featuring an oxaziridine ring, while a ground state roaming mechanism was suggested to produce the slow molecules. Computing translational and rotational energies performing CASSCF classical dynamics, we here prove how the same oxaziridine STC can account for both fast and slow photoproducts, depending on the region of the seam through which the ground state is populated. A roaming-type STC/CI has al…
Pre- and post-synthetic modulation of the ordering temperatures in a family of anilato-based magnets
2019
We report the synthesis and characterization of six novel heterometallic molecule-based 2D magnets with the bromanilato ligand (C6O4Br22− = 1,3-dibromo-2,5-dihydroxy-1,4-benzoquinone dianion) and six different benzene derivative molecules. The compounds, formulated as (NBu4)[MnCr(C6O4Br2)3]·1.75C6H5Br (1), (NBu4)[MnCr(C6O4Br2)3]·C6H5X with X = Cl (2), I (3) and CH3 (4) and (NBu4)[MnCr(C6O4Br2)3]·2C6H5X with X = CN (5) and NO2 (6), present the classical hexagonal honeycomb-(6,3) lattice with alternating Mn(II) and Cr(III) ions. The layers are packed in an eclipsed way along the a direction giving rise to hexagonal channels where the benzene derivative molecules are located with π–π interacti…
Benzene monitoring by micro-machined sensors with SnO2 layer obtained by using micro-droplet deposition technique
2011
International audience; SnO2 thin layers were deposited by the way of the micro-droplet technique. The sensor substrate consisted of a thin membrane developed on oxidised silicon wafer. The sensing layers were deposited by means of the micro-droplet technique into thin layers of about 100 nm. Such devices were tested for benzene detection. The obtained results showed a very high sensitivity for this chemical compound since 500 ppb were detected. The results presented in this paper were not focused on the reactional mechanism of benzene detection but rather on the development of a cheap and sensitive sensor using sol-gel and micro-droplet processes. Since these layers were elaborated using s…
Computational flow dynamics in a geometric model of intussusceptive angiogenesis.
2009
Intussusceptive angiogenesis is a process that forms new blood vessels by the intraluminal division of a single blood vessel into two lumens. Referred to as nonsprouting or intussusceptive angiogenesis, this angiogenic process has been described in morphogenesis and chronic inflammation. Mechanical forces are relevant to the structural changes associated with intussusceptive angiogenesis because of the growing evidence that physiologic forces influence gene transcription. To provide a detailed analysis of the spatial distribution of physiologic shear stresses, we developed a 3D finite element model of the intraluminal intussusceptive pillar. Based on geometries observed in adult intussuscep…
Ordering and dewetting in spin-coated films of a liquid crystalline main chain polymer
2006
Abstract The ordering of spin-coated films of a main-chain smectic liquid crystalline polymer with an azobenzene group connected by flexible spacers to a phenyl malonate unit has been studied as a function of film thickness using scanning force microscopy and UV/Vis spectroscopy. Already the as-prepared films are characterized by a significant out-of-plane orientation of the azobenzene groups. Annealing of films thicker than 7 nm results in aggregation and homeotropical alignment of azobenzene groups forming smectic layers parallel to the substrate. An optically isotropic mesophase was found upon annealing in the temperature range of smectic mesophase. Films thinner than the bilayer thickne…
UV-tunable upper critical solution temperature behavior of azobenzene containing poly(methyl methacrylate) in aqueous ethanol
2015
A series of azobenzene containing copolymers were synthesized by post-modification of poly(methyl methacrylate-co-pentafluorophenyl methacrylate) with an amine-functionalized azobenzene. Light- and thermo-responsive behavior of these copolymers was investigated in ethanol–water solvent mixtures with various amounts of ethanol. The upper critical solution temperature (UCST) of the polymer solutions, resulting from the poly(methyl methacrylate), was found to be highly tunable by the substitution degree of the copolymers as well as the ethanol content of the solvent mixture. In addition, the copolymers are light responsive based on the cis–trans isomerization of the azobenzene group under UV i…
Porphyrin Antenna-Enriched BODIPY–Thiophene Copolymer for Efficient Solar Cells
2018
International audience; Low bandgap A−π–D copolymer, P(BdP-DEHT), consisting of alternating BOronDIPYrromethene (BODIPY) and thiophene units bridged by ethynyl linkers, and its porphyrin-enriched analogue, P(BdP/Por-DEHT), were prepared, and their optical and electrochemical properties were studied. P(BdP-DEHT) exhibits strong absorption in the 500–800 nm range with an optical bandgap of 1.74 eV. On the basis of cyclic voltammetry, the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) energy levels are evaluated to be −5.40 and −3.66 eV, respectively. After the anchoring of zinc(II) porphyrin on the BODIPY unit, P(BdP/Por-DEHT) displays broadened absor…
Photoinduced mass transport in azo compounds
2013
The photoinduced changes of optical properties in azobenzene containing compound thin films were studied under influence of polarized and non-polarized 532 nm laser light. Under influence of light azo compounds experience trans-cis isomerisation process, that can be observed in the absorbance spectrum of the sample. If the light is linearly polarized, molecules align perpendicularly to the electric field vector and as a result photoinduced dichroism and birefringence is obtained. If a known lateral polarization modulation of the light beam is present, mass transport of the azobenzene containing compound occurs. By measuring the surface relief with a profilometer the direction of mass transp…
Synthesis of a New Copper-Azobenzene Dicarboxylate Framework in the Form of Hierarchical Bulk Solids and Thin Films without and with Patterning
2011
Reaction of copper(II) acetate with azobenzene-4,4′-dicarboxylic acid results in the formation of a metal–organic framework with the unexpected stoichiometry of Cu(II):ligand of 2:1. The bulk synthesis results in microspheres assembled from either nanobricks or nanoflakes, depending on the ratio of the reactants in solution. While the former behaves like a bulk solid with clear reflections in the X-ray and electron diffraction experiments, the latter obviously is dominated by surface effects, with a significant fraction of slightly expanded elemental cells and a significantly increased outer surface area. The material could also be deposited on a variety of surfaces using a stepwise layer-b…