Search results for "HALO"
showing 10 items of 2623 documents
Influence of the nature of the substrate and of operative parameters in the electrocarboxylation of halogenated acetophenones and benzophenones
2005
Abstract The electrocarboxylation of halogenated acetophenones and benzophenones to the corresponding hydroxycarboxylic acids has been carried out in undivided cell equipped with aluminium sacrificial anode and using 1-methyl-2-pyrrolidinone (NMP) as the solvent. The radical anion generated by the electro-reduction of the aromatic ketone is involved in several competitive reactions which lead to the formation of the target hydroxycarboxylic acid, the corresponding alcohol and pinacol and the de-halogenated parent ketone. If sufficiently negative working potentials are imposed, the latter is reduced to the corresponding carboxylate, pinacol and alcohol. Very different results in terms of sel…
4-Alkenyl-1,2,3-thiadiazole
1986
Die Titelverbindungen 5 werden aus entsprechenden Alkylderivaten durch Bromierung/Dehydrobromierung (Weg A) oder durch Wittig-Reaktion (Weg B) dargestellt. Mit 4-Phenyl-4H-1,2,4-triazol-3,5-dion entstehen unter Erhaltung des Thiadiazolrings die Monoaddukte 12. 4-Alkenyl-1,2,3-thiadiazoles The title compounds 5 are prepared from the corresponding alkyl derivatives by bromination/dehydrobromination (route A) or by Wittig reaction (route B). 4-Phenyl-4H-1,2,4-triazole-3,5-dione yields the monoadducts 12 by maintenance of the thiadiazole ring.
The water association band as a marker of hydrogen bonds in trehalose amorphous matrices
2017
The relevant role played by residual water in modulating the dynamics and structure of a protein, a matrix and their coupling has been thoroughly studied in bioprotective amorphous saccharide matrices via experiments and simulations. In order to better characterize this residual water and the hydrogen bond structures in which it is involved, in this work infrared spectroscopy experiments are conducted on trehalose-water systems. The properties of water are inferred from the study of a peculiar infrared band, the water association band, which we exploited as a marker of the hydrogen bonds in which water is involved. Our aim was the identification of populations of water molecules, which give…
Attractive halogen···halogen interactions in crystal structure of trans-dibromogold(III) complex
2020
Abstract A synthesis of the trans-dibromogold(III) t-Bu-Xantphos complex and its self-assembly into infinite 1-dimensional chain in the solid state is reported. The new complex characterized using elemental analyses (C, H, N), ESI-MS, 1H and 13C NMR techniques and X-ray diffraction analysis. Results of DFT calculations followed by the topological analysis of the electron density distribution within the framework of QTAIM method at the ωB97XD/DZP-DKH level of theory reveal that strength of attractive intermolecular non-covalent interactions Br···Br in the crystal is 1.2–1.6 kcal/mol.
Functional Enzyme Mimics for Oxidative Halogenation Reactions that Combat Biofilm Formation
2017
Transition-metal oxide nanoparticles and molecular coordination compounds are highlighted as functional mimics of halogenating enzymes. These enzymes are involved in halometabolite biosynthesis. Their activity is based upon the formation of hypohalous acids from halides and hydrogen peroxide or oxygen, which form bioactive secondary metabolites of microbial origin with strong antibacterial and antifungal activities in follow-up reactions. Therefore, enzyme mimics and halogenating enzymes may be valuable tools to combat biofilm formation. Here, halogenating enzyme models are briefly described, enzyme mimics are classified according to their catalytic functions, and current knowledge about th…
Determination of degree of crystallinity of drawn polymers by means of density measurements
1969
The well known procedure of determining the degree of crystallinity by means of measuring the density presupposes the knowledge of both the densities ρc and ρa of the crystalline and of the noncrystalline regions. By combination of small-angle and wide-angle x-ray scattering and of density measurements it can be shown that this method is not justified in the case of drawn polyethylene if the values of ρc and ρa known from isotropic material are used. Both ρc and ρa depend considerably on annealing and drawing conditions. In addition the effective density ρc* of the more densely packed phase in a two-phase structure is much lower than the value ρc calculated from the positions of the x-ray r…
Tuning of interfacial charge transport in polyporphine/phthalocyanine heterojunctions by molecular geometry control for an efficient gas sensor
2022
Abstract Owing to high interfacial conductivity, organic heterostructures hold great promises to augment the electrical performances of electronic devices. In this endeavor, the present work reports fabrication of novel polyporphine/phthalocyanine heterostructures and investigates the modulation of charge transport induced by structural change of polyporphine and its implication on ammonia sensing properties. Polyporphines materials are electrosynthesized by oxidation of zinc(II) porphine monomer that corresponds to the fully unsubstituted porphyrin. At less-positive anodic potential, low conducting meso,meso-singly-linked type-1 polymer (pZnP-1) is formed in which a monomer unit stays orth…
Theoretical Design of Organic Metals Based on the Phthalocyanine Macrocycle
1990
Phthalocyanine molecular crystals and cofacially linked polymers are well documented as low-dimensional materials that may attain high electrical conductivities. Air-stable conductivities on the order of 1 to 1000 S/cm after partial oxidation by iodine have been reported.1–3 These conductivity studies indicate that the electrical conductivity has very little dependence on the identity of the atom complexed in the cavity, but is strongly dependent on the orientation and spacing of the phthalocyanine rings. A columnar stacking with minimum spacing leads to a maximum interaction between π-molecular orbitals on adjacent rings and promotes the highest conductivity. More effective π-interactions …
Deposition and production of highly reproducible hybrid Cu[(tBu)4Pc]-polystyrene thin layers via spin casting
2012
This study focuses on the determination of a protocol for the production of a hybrid material composed of a polymer and a macrocyclic complex, namely polystyrene and a tetra-tert-butyl-copper phthalocyanine (Cu[(tBu)4Pc]), in order to obtain a layer thickness of about 100 nm and a controlled porosity in a highly reproducible way. Several methods were implemented and their reproducibility was evaluated through elements of characterization such as optical microscopy, atomic force microscopy and scanning electron microscopy. POLYM. ENG. SCI. 2013. © 2012 Society of Plastics Engineers
Mass spectra of halogenated esters 6—Methyl esters of some trihalogenated propanoic and butanoic acids
1984
The mass spectral fragmentation of trihalogenated methyl esters, formed in the reactions of monochlorinated methyl propenoates and 2-butenoates with Cl2, BrCl and Br2, have been investigated. In most cases α-cleavage gives the base peak, [COOCH3]+, the peaks originating from the subsequent losses of one or two halogen atoms also being abundant. The primary loss of a halogen atom is more prominent in the C4 derivatives, Br˙ and Cl˙ being preferentially lost from the 2- and 3-positions, respectively. The McLafferty rearrangement yields in one case the base peak; the 2-halo compounds could in general be distinguished by that fragmentation. Typical for all 2-bromo-substituted methyl butanoates …